SIAM-MS21: SIAM CONFERENCE ON MATHEMATICAL ASPECTS OF MATERIALS SCIENCE - MS 21

This page contains an index consisting of author-provided keywords.

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$\Gamma$-convergence	Asymptotic analysis of singularly perturbed elliptic functionals
2
2+1 dimensions	Energy scaling of step bunching and undulation instabilities for epitaxial growth with elastic effects in 2+1 dimensions
2-Scale	A Real-Space Two-Scale Analysis of the Polarization Density in Ionic Solids
2D Materials	Computing the Kubo conductivity for incommensurate layered crystals using configuration space Intelligent in silico Material Design by Deep Learning Networks
3
35B27	Homogenization in randomly perforated domains
35J57	Homogenization in randomly perforated domains
35Q35	Homogenization in randomly perforated domains
3D X-ray microscopy	Tales of the Abnormal: Grain Growth in Particle-Containing Systems
6
60K35	Homogenization in randomly perforated domains
A
A Posteriori Error Estimator	A Simplified a Posteriori Error Estimation for a Consistent Atomistic-to-continuum Coupling Method in 2D
A Priori Analysis	Approximation of the Atomistic Model by Higher Order Continuum Model
A-quasiconvexity	Relaxation of static problems
ab initio	Interatomic Potentials from First Principles
Ab initio molecular dynamics	A stochastic algorithm for Born-Oppenheimer Molecular dynamics
abnormal grain growth	Tales of the Abnormal: Grain Growth in Particle-Containing Systems
absorbing Markov chain	Kinetics of Halide-Mediated Cu Nanowire Growth
accelerated molecular dynamics	Temperature Programmed Molecular Dynamics - Accessing rare events using a combination of finite time sampling and bias potentials Using Accelerated Molecular Dynamics to Understand Transport in Complex Oxides Shape Fluctuation of Metallic Nanoclusters: Observations from Long­ Timescale Simulations
activation-relaxation technique	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
Active liquid crystals	Active nematics: from turbulent to steered flows
active materials	Energy-efficient flocking of active particles Inverse Design of Passive and Active Metamaterials
Actuation	Shape programming using lines of concentrated Gaussian curvature
Adaptive Biasing Force	The Adaptive Biasing Force algorithm with non-conservative forces
Adaptive Langevin dynamics	Removing the mini-batching error in Bayesian inference using Adaptive Langevin dynamics
Adaptive Methods	A Simplified a Posteriori Error Estimation for a Consistent Atomistic-to-continuum Coupling Method in 2D
adaptive moving meshes	A Moving Mesh Finite Element Method for Modelling Defects in Liquid Crystals
adaptive multilevel splitting	A more efficient way to sample rare events through a combination of importance sampling and Adaptive Multilevel Splitting
additive manifacturing	A two scale approach to printable microstructures
additive manufacturing	The effect of additive manufacturing processing on microstructure entropy and morphology
adhesion	Microscopical Justification of Solid-State Wetting and Dewetting
Adhesion energy	Sterols and phospholipids: from self-consistent mean field theory to phase field reduction
Advancing liquid meniscus	Asymptotic analysis of advancing menisci in complete wetting
advection-diffusion	Peridynamic solution of hyperbolic equations including Eikonal
Aggregation in peaks	Stability of solutions with peaks for a coagulation-fragmentation equation
Ahlfors-regular boundaries	Traces for Functions with No Differentiability
Al/Si ordering	Exploiting superspace symmetry for characterizing modulation functions with first-principles calculations
algorithms	Local and global perspectives on diffusion maps in the analysis of molecular systems
All-electron	Fast and accurate density functional theory calculations reaching ~100,000 electrons using DFT-FE---a massively parallel real-space code using higher-order adaptive spectral finite-element discretization
Allen-Cahn Equation	Asymptotic Behaviour of Time Stepping Methods for Phase Field Models
allen-cahn functional	Qualitative behavior of phase transitions in heterogeneous media
Allen-Cahn Otha-Nakazawa	Analysis on the gradient flow system for the triblock copolymers
Alloys	Effects of Compositional Strain and Cottrell Atmospheres in Binary Systems by amplitude phase-field crystal modeling Glass-box machine learning to find descriptors of materials
Amphiphilic interface	Bifurcation & Competitive Evolution of Network Morphologies in the Functionalized Cahn-Hilliard Eqaution
amplitude expansion	Multiscale simulations of rotating grains in APFC model
amyloid fibrils	Inverse problem for fragmentation equation
Analysis	Generalized Stress Potentials in Nonlinear Incompatible Elasticity
analytic continuation	Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
Analytical model	Boundary Condition for Dislocation Dynamic Simulation in BCC Crystal
analytical modelling	An analytic model that describes the impedance response of perovskite solar cells near open-circuit
Anchoring transitions	Theory and simulation of liquid crystal sandwiches
anisotropic	Minimality of polygons in a nonlocal anisotropic isoperimetric problem
anisotropic diffusion	Analysis of Anisotropic Nonlocal Diffusion Models: Well-posedness of Fractional Problems for Anomalous Transport
anisotropy	Rolling Waves with Non-Paraxial Phonon Spins Equilibrium measures for nonlocal energies: The effect of anisotropy Constraints imposed by material stability for an anisotropic peridynamic model Microscopical Justification of Solid-State Wetting and Dewetting Numerical Method for Nematic Liquid Crystals with the Maier-Saupe Potential
annealing	Metamorphosis of polymer nanoparticles
anomalous diffusion	Analysis of Anisotropic Nonlocal Diffusion Models: Well-posedness of Fractional Problems for Anomalous Transport A fractional model for anomalous diffusion with increased variability. Analysis, algorithms and applications to interface problems
anthocyanins	Flower Pigment Patterns
anti-ferromagnetic energies	Nucleation and growth of lattice crystals
apfc	Multiscale simulations of rotating grains in APFC model
Apparent Gaussian curvature	Buffering by buckling: Changing apparent Gaussian curvature isometrically
artificial boundary condition	Optimal artificial boundary conditions for three dimensional elliptic random media
Artificial Neural Network	AI-aided, incremental numerical approach for finite strain poroelasticity: On the brain tissue deformation
ARTn	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
astonishing result	Towards a gradient flow for microstructure
Asymptotic analysis	Guided modes in a hexagonal periodic graph like domain Non-linear 1D models for slender structures Asymptotic analysis of advancing menisci in complete wetting High order imperfect interface models for 2D potential problems with thin layers: Theory, computations, and applications Unraveling the role of long range dipolar interactions in the stabilisation of compact magnetic skyrmions
Asymptotic homogenization method	Multi-scale Homogenization of Hierarchical Viscoelastic Composites
asymptotic localization	Stationary non-equilibrium solutions for coagulation equations
asymptotic matching	The profile and the energetics of chiral skyrmions
asymptotic methods	How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model
asymptotic rigidity	Asymptotic rigidity and homogenization of variational models for anisotropic high-contrast composites
Asymptotic self-similarity	Asymptotic self-similarity in a model of shape-memory alloys
asymptotic surface tension	On the homogenized surface tension of random energies defined on partitions
Asymptotic variance	Non-reversible sampling schemes on submanifolds
Asymptotically compatible schemes	Asymptotically compatible reproducing kernel collocation methods for nonlocal models
Asymptotics	Rugosity effects in liquid crystals
atom probe tomography	Classifying Crystal Structures via Bayesian Topological Learning Local Observation of Atomic ordering in Alloys via the Radial Distribution Function: A Computational and Experimental Approach Atom Sequencing for Disordered Materials
atomic diffusion	Hydrogen storage in Pd nanoparticles
atomic ordering	Local Observation of Atomic ordering in Alloys via the Radial Distribution Function: A Computational and Experimental Approach
atomistic model	Approximation of the Atomistic Model by Higher Order Continuum Model Finite Temperature Cauchy-Born Rule and Stability of Crystalline Solids with Point Defects
atomistic modelling	Hydrogen induced fast-fracture
atomistic models	Analytical validation of variational models for epitaxially strained thin films Microscopical Justification of Solid-State Wetting and Dewetting Nonlinear Multipole Expansion of a Crystalline Defect
atomistic simulation	Comparative atomistic-continuum modeling and experimental characterization of dislocation-solute interaction in binary alloys Nonlinear Multipole Expansion of a Crystalline Defect
atomistic simulations	Integrated machine learning models for atomic and molecular simulations An equivariant representation to learn long-distance interactions Atomistic-informed calibration of partial differential equations for material applications via machine learning
Atomistic systems	Discrete energies with surface scaling
atomistic-to-continuum	From Atomistic Model to the Peierls-Nabarro Model with gamma-surface for Dislocations
Atomistic-to-Continuum Coupling Method	A Simplified a Posteriori Error Estimation for a Consistent Atomistic-to-continuum Coupling Method in 2D
autoencoders	Finding reaction coordinates with machine learning techniques for free energy computations
Autonomous	Oscillating membranes: modeling and controlling autonomous shape-transforming sheets
auxetic	Experimental Determination of Auxeticity in Periodic Structures Design of hinged 3D auxetic mechanisms
auxetic deformation	Geometric principles for auxetic periodic design
auxetic design	Pseudo-triangulations for 2D auxetic designs
Auxetic materials	Auxeticity and transformable topological mechanical metamaterials
Auxeticity	Mechanical and auxetic properties of polyhedral units with sharing edges
avalanches	From topology of force networks to avalanche prediction in sheared particulate systems
averaging and homogenisation	Goal-oriented coarse-graining of multiscale diffusions with parameter uncertainties
Aviles-Giga	3D smectics: a sharp lower bound and connection to Aviles-Giga
axisymmetric problem	Axisymmetric penny-shaped fracture problem at nanoscale
Axisymmetry	Axisymmetry of critical points of the Onsager functional for liquid crystals
B
B-basis strength value	VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING
backmapping	Physics-based machine learning for multiscale computer simulations
bacteria subtilis	Confined active matter: bacteria swimming in chromonic liquid crystals
Bacteriophage DNA	Ion-dependent DNA Configuration in Bacteriophage Capsids Ion-dependent DNA Configuration in Bacteriophage Capsids
Bacteriophage viruses	DNA Configurations of Bacteriophage Viruses: Energetics of Packaging and Phase Transitions
Bacteriophages	Knotted liquid crystals in bacteriophage DNA
barycentric Lagrange treecode	Treecode-Accelerated Green Iteration for Kohn-Sham Density Functional Theory
batteries	Computational exploration of energy storage materials using theoretical chemistry and machine learning
Battery applications	Screening Energetically Stable Structures of LLZO garnets for Lithium-Ion Battery Applications with a Reduced Discrete Optimization Model
Bayesian Inference	Inference, Uncertainty Quantification, and Uncertainty Propagation for Grain Boundary Structure-Property Models Removing the mini-batching error in Bayesian inference using Adaptive Langevin dynamics Atom Sequencing for Disordered Materials
Bayesian learning	Classifying Crystal Structures via Bayesian Topological Learning
Bayesian machine learning	Physics-aware, deep, probabilistic coarse-grained models with guaranteed stability
Bayesian modelling	Data-Driven Density Functional Theory: A case for Physics Informed Learning
BD-ellipticity	LOWER SEMICONTINUITY FOR FUNCTIONALS DEFINED ON PIECEWISE RIGID FUNCTIONS AND ON GSBD
bending energy	A bending‐twist model for elastic rods
Berry-Chern monopole	A ''monopole-spectral flow'' correspondence for unidirectional waves in 2D.
beta function	On the Global Asymptotic Stability for the LSW Model With Subcritical Initial Data
Bethe-Salpeter equation	Analysis of a two-particle model for dynamics of excited states in solids
Bianisotropy	The electromomentum coupling in generalized Willis media
Biased Sampling	Machine Learning based Collective Variable Discovery in Molecular Dynamics
bifurcation	Minimizers for the Cahn--Hilliard Energy Functional under Strong Anchoring Conditions
bifurcation analysis	Bifurcation analysis of a new Q-tensor model for Smectic-A liquid crystals
bifurcation diagram
Bifurcation Diagrams	Ferronematics in Confinement - Order Reconstruction, Defects and Multistability
Bifurcation theory	Continuum approach for studying morphological deformations of multiple-phase organic photovoltaic cells
bilayer plates	Simulation of free boundaries and interfaces in nonlinear plate bending
bilayers	Modeling buckling and topological defects in stacked two dimensional layers ofgraphene and hexagonal boron nitride
Bilbao Crystallographic Server	The study of layer and multilayer materials using the Bilbao Crystallographic Server Online Materials Studies by the Bilbao Crystallographic Server
Binary crystals	Effects of Compositional Strain and Cottrell Atmospheres in Binary Systems by amplitude phase-field crystal modeling
Binary Glass System	Predicting Plasticity in 2D Model Metallic Glasses Using the Local Yield Stress and Diffusion Maps
bio-inspired robotics	Gaussian morphing of shape-shifting bio-inspired surfaces
Biodegradable biomaterials	Mathematical modeling of biodegradation of metallic biomaterials using reaction-diffusion-convection equations and level set method
biological chiral liquid crystals	Egg Carton Surfaces in Cholesteric Liquid Crystals: Geometry of Biaxial Wrinkling Waves
Biological material	Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
biological membrane	Exact minimal parking garages: Optimal packing of biological membranes with helical motifs requires pitch balance
Biological structures	Multi-scale Homogenization of Hierarchical Viscoelastic Composites
biomechanics	Modelling, Analysis and Computation of Cell-Induced Phase Transitions in Fibrous Biomaterials
Biomedical engineering	Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
biophysics	Transport of (and in) biological liquid crystals
bistability	Multistable inflatable origami structures at the meter-scale Static equilibria and bistability of creased annular sheets and strips
Bistable many particle systems	Electrochemical Many Particle Systems with Coexisting States: From nonlinear phase-transitions to collective oscillations
Bloch–Floquet waves	Anomalous energy transport in laminates with exceptional points
block copolymer	Metamorphosis of polymer nanoparticles
Blow up limit	On the regularity of singular sets of minimizers for the Mumford-Shah energy
blow-up	Blow-up of dyadic models for the magnetohydrodynamics
Bogdanov-Takens bifurcation	Non reciprocal phase transitions
Bond-based peridynamics	Bond-based peridynamics: A tale of two Poisson's ratios
bottleneck distance	Visualisation of large crystal datasets by using TreeMaps and isometry invariants The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets
Boundary conditions	Boundary Condition for Dislocation Dynamic Simulation in BCC Crystal
boundary correctors	Limiting boundary correctors for periodic microstructures and inverse homogenization series
boundary layer theory	Resolving the Shock Layer in Fixed-Bed Adsorption with Boundary Layer Theory
Boundary-Effects	A Real-Space Two-Scale Analysis of the Polarization Density in Ionic Solids
Bourgain-Spencer conjecture	On the Bourgain-Spencer conjecture in stochastic homogenization
Brain Modeling	Does soft matter matter to brain matter? The curious case of brain wrinkling.
Brain tissue modelling	AI-aided, incremental numerical approach for finite strain poroelasticity: On the brain tissue deformation
branching microstructure	Branching of twins in shape memory alloys revisited
Bravais lattice	Optimal Lattice Quantizers and Best Approximation in the Wasserstein Metric Twinning and slip in Bravais lattices
break-through curve	Resolving the Shock Layer in Fixed-Bed Adsorption with Boundary Layer Theory
Brillouin zones	A continuous, complete, isometry classification of crystals
Brittle fracture	A derivation of Griffith functionals from discrete finite-difference models
Brownian bridges	Sampling conditioned trajectories using Langevin bridges
Brownian Motion	Stochastic Peierls-Nabarro Model for Dislocations in High Entropy Alloys
Buckling	Instability, frustration, and phase transitions in membranes with dilation arrays Effect of the thickness on the curvature-induced rigidity of flat sheets
Buckling instability	Fluctuating plates and singing saws
Buckling of shells	Revisiting the buckling of cylindrical shells under axial compression
Bulk and surface diffusion	A Bulk-Surface Coupled Model for Intracellular Oscillations
Bulk-boundary correspondence	A ''monopole-spectral flow'' correspondence for unidirectional waves in 2D.
bulk-edge correspondence	Topological indices for shallow-water waves.
bulk-interface correspondence	Multiscale Invariants of Floquet Topological Insulators
Bulk-surface partial differential equations	A robust and efficient adaptive multigrid solver for the optimal control of geometric surface evolution laws with applications to cell migration
BV functions	Stochastic Homogenisation of Free-Discontinuity Problems
C
C0 interior penalty methods	Numerical Analysis of a Continuous Interior Penalty Method for the Phase Field Crystal Equation
C^0 interior penalty methods	Variational and Numerical Analysis of a Double Landau--de Gennes Model for Smectic Liquid Crystals
C_0-semigroups	Growth-fragmentation-coagulation equations with unbounded coagulation kernels
Cahn-Hilliard	Nonlocal phase-field models permitting sharp interfaces On the numerical treatment of Cahn-Hilliard equations with dynamic boundary conditions Relaxation for L^1 disturbances in the Cahn-Hilliard equation and the two-phase Stefan problem LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT
Cahn-Hilliard equation	Global existence of weak solutions to a diffuse interface model for magnetic fluids Sharp Interface Limits for Diffuse Interface Models Metamorphosis of polymer nanoparticles Asymptotic Behaviour of Time Stepping Methods for Phase Field Models
Cahn-Hilliard functional	Minimizers for the Cahn--Hilliard Energy Functional under Strong Anchoring Conditions
Calculus of Variations	Ring defect in a nematic liquid crystal Asymptotic self-similarity in a model of shape-memory alloys Relaxation of static problems Constrained Energy Minimization for Bent-Core Liquid Crystals Gamma convergence for zigzag transition layers in thin film ferromagnetics LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT Existence and approximation of equilibrium configurations for epitaxially strained crystalline films Recent results on the variational theory of linearized elasticity
Calculus of vatiations	Inside the light boojums: a journey to the land of boundary defects
Calderon operator	On an interior Calderon operator and a related Steklov eigenproblem for Maxwell's equations
Calibration	Uncertainty Quantification in Functional Model Calibration: An Application in Coarse-Grained Epoxy Models VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING
Calibrations	Weak-strong uniqueness and stability of evolutions for multi-phase mean curvature flow
Cantor spectrum	Spectrum of graphene models in magnetic fields
capillary assembly	Liquid-induced topological transformations of cellular microstructures
capillary flows	Architecting soft functional materials with instabilities
cardiac growth and remodelling	An initial experience of constrained mixture based cardiac growth and remodelling
Cartesian currents	Does the N-clock model approximate the XY model?
CASSCF	Optimal orbital selection for full configuration interaction (OptOrbFCI): Pursuing the basis set limit under a budget
catalysis	Glass-box machine learning to find descriptors of materials
cation ordering	Using Accelerated Molecular Dynamics to Understand Transport in Complex Oxides
Cauchy-Born rule	Finite Temperature Cauchy-Born Rule and Stability of Crystalline Solids with Point Defects
Cauchy’s relations	Bond-based peridynamics: A tale of two Poisson's ratios
cavitation	Hydrodynamic cavitation in Stokes flow of anisotropic fluids Lower bound for the coalescence load in 2D neoHookean materials
Cell migration	A robust and efficient adaptive multigrid solver for the optimal control of geometric surface evolution laws with applications to cell migration
cell motility	Gaussian morphing of shape-shifting bio-inspired surfaces
cell theory	Leaky Cell Model of Hard Spheres
cell-extracellular matrix interaction	An elasto-plastic model for the mechanical interaction between cell and ECM
cells and tissues	Hydraulic fracture of cells and tissues
cellular micro-structures	Liquid-induced topological transformations of cellular microstructures
cellular problems	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
Central Limit Theorem	Central Limit Theorem for stationary Fleming-Viot particle systems in finite spaces
ceramic materials	Exploding, weeping and reversible phase transformations in polycrystals
ceramic-matrix composites	Healing process modelling and lifetime evaluation for self-healing ceramic matrix composites
charge transport	Multilevel kinetic Monte Carlo simulations for charge transport
Charge transport properties	Large Deviations for Fermions at Equilibrium - An Approach to Macroscopic Behavior at Nanoscales
charged particles	Discrete-to-continuum limits for dislocations: results in one and two dimensions
chemical separation	Resolving the Shock Layer in Fixed-Bed Adsorption with Boundary Layer Theory
chemomechanics	Comparative atomistic-continuum modeling and experimental characterization of dislocation-solute interaction in binary alloys
Chern number	(De)localized Wannier functions for quantum Hall systems
Chern numbers	A ''monopole-spectral flow'' correspondence for unidirectional waves in 2D.
Chiral edge states	A ''monopole-spectral flow'' correspondence for unidirectional waves in 2D.
chiral interactions	Curvilinear Nanomagnetism
Chiral liquid crystal	Exotic defect structures of a chiral liquid crystal sandwiched by two parallel substrates and their optical properties
chiral magnets	Chiral magnetism: A geometric perspective
chiral skyrmion	The profile and the energetics of chiral skyrmions
Chirality	Contact geometry and the structure and elasticity of chiral materials Tying molecular knots in liquid crystals Frustrated Self-Assembly of Non-Euclidean Crystals of Nanoparticles
Chirality transitions	Variational analysis of a two-dimensional frustrated spin system: emergence and rigidity of chirality transitions
Chloroplasts	Sterols and phospholipids: from self-consistent mean field theory to phase field reduction
Cholesteric	A simple variational problem in a one-dimensional cholesteric
chromonic liquid crystal	Confined active matter: bacteria swimming in chromonic liquid crystals
Chromonic liquid crystals	DNA Configurations of Bacteriophage Viruses: Energetics of Packaging and Phase Transitions
circuit modelling	Modelling perovskite solar cells: from drift diffusion to an equivalent circuit
circular polarization	Rolling Waves with Non-Paraxial Phonon Spins
classical Molecular Dynamics	Born to be different: modelling formation of metallic nanoparticles and their consequences
classification	Interpretable Classification of Nanocrystals using Unsupervised and Supervised Learning
Cluster Chemistry	Oscillatory decrease with size in diffusivity of {100}-epitaxially supported 3D fcc metal nanoclusters
clustering	Automated identification of collective variables and metastable states from molecular dynamics data Interpretable Classification of Nanocrystals using Unsupervised and Supervised Learning
CNN	Intelligent in silico Material Design by Deep Learning Networks
coagulation	Large Deviations for Coagulation including the Gel Oscillatory behavior of bubbleator dynamics
Coagulation dynamics	Stationary non-equilibrium solutions for coagulation equations
Coagulation type equations	A coagulation-fragmentation-death model for silicosis
Coagulation-fragmentation equation	Stability of solutions with peaks for a coagulation-fragmentation equation
coarse graining	Physics-aware, deep, probabilistic coarse-grained models with guaranteed stability Hierarchical Coarse-Graining: Physics-based or Data-driven Models?
coarse-grained model	Multiscale Simulations of Biomembrane Interactions with Small Molecules and Nanoparticles
coarse-grained modeling	Reshaping of fcc metal nanocubes and octahedra: atomistic and coarse-grained modeling
Coarse-Grained Molecular Dynamics	Uncertainty Quantification in Functional Model Calibration: An Application in Coarse-Grained Epoxy Models
coarse-graining	Coarse-Grained Peridynamic Model for Graphene Data-driven coarse-grained models at transient dynamics Physics-based data-driven discovery of continuum equations Physics-based machine learning for multiscale computer simulations Coarse-graining methods: mathematical analysis and construction of reaction coordinates Atomistic-informed calibration of partial differential equations for material applications via machine learning Modeling transient dynamics of coarse-grained molecular systems
cofactor condition	Abnormal martensite microstructure in TiNi-based alloys not satisfying cofactor condition
Coherent field	The coherent electromagnetic field by a particulate media – numerical implementation in a planar geometry
cohesive fracture	Cohesive fracture in 1D: quasi-static evolution and derivation from phase-field models Eigendamage: An Eigendeformation Model for Cohesive Fracture
collective electrostatic potential	Tensor numerical modeling of the collective electrostatic potentials of many-particle systems
Collective oscillations	Electrochemical Many Particle Systems with Coexisting States: From nonlinear phase-transitions to collective oscillations
Collective Variables	Automated identification of collective variables and metastable states from molecular dynamics data Machine Learning based Collective Variable Discovery in Molecular Dynamics
colloidal particle	Microfluidic flow of colloid-liquid crystal composite materials
committor	Exploiting history information to analyze molecular dynamics simulations
Compactness	Langevin processes in bounded-in-position domains: application to quasi-stationary distributions
comparative study	Weighted total variation based algorithms for reconstruction of grain orientation data: a comparative study
Comparison Principles	Scaling Laws for Curvature-Driven Interface Propagation
Compatibility	Compatibility conditions in dense lattices Abnormal martensite microstructure in TiNi-based alloys not satisfying cofactor condition
compatibility condition	The designs of rigidly deployable quadrilateral origami and kirigami
Compensated compactness	Some mathematical aspects of geophysical fluid dynamics
Compensation effect	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
complex electromagnetic permittivity	Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
Complex fluids	Rifting of extensional flows
complex lattice	Convergence from Atomistic Model to Peierls-Nabarro Model for Dislocations in Bilayer System with Complex Lattice
complex microstructure	Machine learning models of the mechanical response of materials with complex microstructure
complex oxides	Using Accelerated Molecular Dynamics to Understand Transport in Complex Oxides
complex valued viscosity	Integral representation of fluid permeability
Composite	Design of Composite Fiber Paths under Manufacturing Uncertainties for Improved Mechanical Performance
Composite materials	Data-driven learning of nonlocal models:from high-fidelity simulations to constitutive laws
Composite Media	Nonreciprocal optical behavior in high-loss magnetic-dielectric photonic crystals
Composites	The electromomentum coupling in generalized Willis media Variational methods to determine bounds on the response of viscoelastic composites in the time domain
Composites damage model	VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING
composition optimization	Optimizing Fractional Compositions Through Gradient Ascent
computational geometry	An isometry classification of periodic point sets
Computational homogenization	A machine-learning framework for peridynamic material models with physical constraints
Computational mechanics	Joining metric-compatible actuated shapes at creases with Gaussian curvature A nonlinear substructure method based on a computational plasticity framework for efficient analysis of structural assemblies
computational methods	Top signs to consider nonlocal modeling
computational micromagnetics	Large-Scale Eigenmode Computation for Magnetization Dynamics in Micromagnetic Systems
computer simulations	Physics-based machine learning for multiscale computer simulations
computer vision	New roles for data science in materials science
Conditioned trajectories	Sampling conditioned trajectories using Langevin bridges
configuration interaction	Fast Randomized Iteration for Ground- and Excited-State Full Configuration Interaction Machine learning configuration interaction: Developments and Applications
configuration space topology	Topology of the configuration space of hard disk systems
confined	Defect formation, and removal, in liquid crystal devices
Conformal Euclidean group	Origami with Conformal and Helical Symmetry
conformal mappings of multiply connected domains	Free boundary problem of antiplane elasticity of inclusions in a half-plane
conformation	Multiscale Simulations of Biomembrane Interactions with Small Molecules and Nanoparticles
connector theory	Recycling results of models to simulate real materials: connector approach
conservation laws	Nonlinearities in nonlocal models
Consistency	Consistency of Higher Order Derivatives on Random Point Clouds and Applications to Semisupervised Learning
constitutive equations	Entropy decay in grain growth
constitutive modeling	Learning Nonlocal Constitutive Models with Neural Networks
Constitutive relations	The electromomentum coupling in generalized Willis media
Constrained evolution	Dynamics of Grain Boundaries Based on Underlying Microstructures
Constrained minimization	Finding grain boundary energy by constrained minimization
constrained mixture theory	An initial experience of constrained mixture based cardiac growth and remodelling
Constrained optimization	Numerical methods for open-shell electronic systems
Constructive methods of QFT	Large Deviations for Fermions at Equilibrium - An Approach to Macroscopic Behavior at Nanoscales
contact angle hysteresis	A macroscopic model for dynamic contact angle hysteresis
Contact geometry	Contact geometry and the structure and elasticity of chiral materials
contact mechanics	Frictionless indentation of a rigid stamp into a half-space
continuity	The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets A Topological Fingerprint for Periodic Crystals
continuous diversity	Multiscale mechanics and recrystallization of glacier ice
continuum limit	Fracture Models - Stochastic Homogenization and Continuum Limits of Discrete Particle Systems
Continuum mechanics	Towards modelling of (20-1) plastic twinning in Ni-Ti martensite
Continuum Modelling	Is there a place for Mesh Free modelling of liquid crystals?
controlled shape-morphing	Designing and modeling origami and kirigami structures
convergence	Convergence studies in meshfree peridynamic wave and crack propagation
Convergence rates	Convergence rates of interacting particle systems in the many-particle limit
Convergence to Equilibrium	Coupling Methods for Hamiltonian Monte Carlo
Convex analysis	Convex analysis of wrinkle patterns in confined elastic shells
convex integration	Kirchhoff plate theory for periodic prestrained sheets Microstructures in Shape-Memory Alloys: Rigidity vs Flexibility
convex-concave potentials	Equilibrium configurations of particle systems in external potentials
convolution	Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective
coordinate descent	Coordinate Descent FCI for Excited States Calculation
core-shell assembly	Modeling and Analysis of Patterns in Multi-Constituent Systems with Long Range Interaction
core/shell synthesis	Mechanisms of self-ordering in the synthesis of quasi-one-dimensional periodic core-shell nanostructures
corkscrew condition	Traces for Functions with No Differentiability
corner	Numerical solutions to the free boundary problem for a void in a stressed solid with anisotropic surface energy
Coulomb interaction	Explicit minimizers of nonlocal interaction energies
Coupled fields	Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
coupling	Homogenization of a non-dilute suspension of a viscous fluid with magnetic particles
Coupling and sliding motions	Dynamics of Grain Boundaries Based on Underlying Microstructures Dynamics of Grain Boundaries Based on Underlying Microstructure A Three-Dimensional Continuum model for Grain Boundary Motion Incorporating Dislocation Structure
Coupling Methods	Trying to model long time ageing using AKMC: the need to turn to mixed/hybrid methods Coupling Methods for Hamiltonian Monte Carlo
Crack tip	On the regularity of singular sets of minimizers for the Mumford-Shah energy
creased thin sheets and strips	Static equilibria and bistability of creased annular sheets and strips
Critical points	Axisymmetry of critical points of the Onsager functional for liquid crystals
crumpling	Crumples as a Generic Stress-Focusing Instability in Confined Sheets
Crystal database	A continuous, complete, isometry classification of crystals
crystal lattice	Leaky Cell Model of Hard Spheres
crystal plasticity	Multiscale modelling of dislocation patterning
crystal shapes	Continuum limits of discrete isoperimetric problems and Wulff shapes in lattices and quasicrystal tilings Discrete isoperimetric inequalities in periodic graphs and semidiscrete Optimal Transport
Crystal Structures	Motif Graphs Provide Continuous Isometry Invariants of Periodic Point Sets
Crystalline and smooth anisotropies	On anisotropic curvature flow of networks
crystalline defects	Adaptive QM/MM method for crystalline defects Nonlinear Multipole Expansion of a Crystalline Defect
Crystalline solids	Large scale computation of electronic structure and it’s application to the study of crystalline solids
crystalline surface tension	Minimality of polygons in a nonlocal anisotropic isoperimetric problem
crystallization	Asymptotic optimality of the triangular lattice for a class of optimal location problems Free-energy calculation of partially ordered clusters Microscopical Justification of Solid-State Wetting and Dewetting Emergence of rigid Polycrystals from atomistic Systems with Heitmann-Radin sticky disk energy
crystallographic symmetry groups and representations	Online Materials Studies by the Bilbao Crystallographic Server
crystals	A Topological Fingerprint for Periodic Crystals
Cubic microlattice	Cubic microlattices embedded in nematic liquid crystals - a Landau-De Gennes study
Curl Curl	Generalized Stress Potentials in Nonlinear Incompatible Elasticity
Curvature driven flow	Bifurcation & Competitive Evolution of Network Morphologies in the Functionalized Cahn-Hilliard Eqaution
curvature effects	Curvilinear Nanomagnetism
Curvature energies	New phase field approximations of the Willmore energy
Curvature-induced rigidity	Effect of the thickness on the curvature-induced rigidity of flat sheets
curvatures	A field theory for plant tropisms and axonal durotaxis
curve shortening equation	A curve shortening equation with time-dependent mobility related to grain boundary motions
curved crease origami	Foldable Structures and Materials
Curved creases	Joining metric-compatible actuated shapes at creases with Gaussian curvature
curved films	Curvilinear Nanomagnetism
Curved ridges	Shape programming using lines of concentrated Gaussian curvature
curved wires	Curvilinear Nanomagnetism
Cytoskeleton	Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
D
d-cone	Energy scaling for a conically constrained sector
Damage	Compatibility conditions in dense lattices
data fusion	Data Assimilation and Mixed-Variable Metamodeling with Latent Map Gaussian Processes
data generation	How can Machine Learning Aid Computational Chemistry in Data Generation
data mining	Local Observation of Atomic ordering in Alloys via the Radial Distribution Function: A Computational and Experimental Approach
data science	New roles for data science in materials science
Data-driven discovery	Data-Driven Physics Discovery
data-driven learning	Data-driven learning of nonlocal physics from high-fidelity synthetic data
data-driven modeling	Multiscale Modeling of Molecular and Nano-Materials: Towards Stronger Coupling of Quantum and Continuum Scales
Debonding	Debonding of a gel from a rigid substrate
debunking	Debonding waves in gel thin films
deep learning	NMR-TS: de novo molecule identification from NMR spectra Learning Nonlocal Constitutive Models with Neural Networks Weight-Sharing Across Nuclear Geometries Can Improve Optimization in Deep Learning-Based Variational Monte Carlo Intelligent in silico Material Design by Deep Learning Networks
defect	Solution landscape of a reduced Landau–de Gennes model on a hexagon Defect formation, and removal, in liquid crystal devices Construction of Solution Landscape of Nematic Liquid Crystals
defect dynamics	A Comparison of Phase-Field and Peridynamic Models of Microstructure Evolution with Inertia
defect formation	Modeling buckling and topological defects in stacked two dimensional layers ofgraphene and hexagonal boron nitride
defect kinetics	Using Accelerated Molecular Dynamics to Understand Transport in Complex Oxides
defect transport	Automated discovery and analytic calculation of defect diffusion with quantified uncertainty
defects	Large scale computation of electronic structure and it’s application to the study of crystalline solids A structure-preserving finite element method for uniaxial nematic liquid crystals A Moving Mesh Finite Element Method for Modelling Defects in Liquid Crystals Defects in thin nematic liquid-crystalline films Nematic Liquid Crystal Defects for Landau-de Gennes Energy Minimizers in Three Dimensions Disclinations and Dislocations in Smectics and Crystals
defects in crystalline materials	Discrete-to-continuum limits for dislocations: results in one and two dimensions
deformable surface	Liquid crystals on deformable surfaces
degenerate mobility	Nonnegative solutions for the Functionalized Cahn-Hilliard equation with degenerate mobility
delamination	Energetic bounds for paperboard delamination under bending On the wave equation on time-dependent domains and the problem of dynamic debonding Delamination of a thin film from adhesive sphere: From multi-fold and multiply-ruck patterns to blister networks
density functional theory	NMR-TS: de novo molecule identification from NMR spectra Large scale computation of electronic structure and it’s application to the study of crystalline solids New optimal control problems in density functional theory motivated by photovoltaics Density Functional Theory: Overview and Open Challenges Low scaling algorithm for the ppRPA correlation energy Recent progress towards large-scale quantum accuracy materials simulations Exploiting superspace symmetry for characterizing modulation functions with first-principles calculations A data driven approach to improved exchange-correlation functionals in DFT High Performance Computing Aspects in Electronic Structure Calculations Strictly-Correlated-Electrons approach in Density Functional Theory: regularization and multi-marginal Sinkhorn algorithm The dissociation limit in the particle-hole random approximation On density functional theory and macroscopic equations Mathematical Models of Electronic Structure Computational exploration of energy storage materials using theoretical chemistry and machine learning Kinetics of Halide-Mediated Cu Nanowire Growth Discrete discontinuous basis projection method for large-scale density functional theory calculations Data-Driven Density Functional Theory: A case for Physics Informed Learning
density matrices	Analysis of self-consistent field and direct minimization algorithms for electronic structure
density matrix	Mathematical Models of Electronic Structure
density perimeter	Liquid drop model with density perimeter
Density Potentials	Bottom-up coarse-graining of polymers using local density potentials
Density-functional theory	Theory and simulation of liquid crystal sandwiches Using the density-functional toolkit (DFTK) to design black-box methods in density-functional theory
deployable structures	Foldable Structures and Materials Kirigami-inspired Multistable Structures Gaussian morphing of shape-shifting bio-inspired surfaces
Design	Design of Composite Fiber Paths under Manufacturing Uncertainties for Improved Mechanical Performance Architecting soft functional materials with instabilities
design methodology	Geometric principles for auxetic periodic design
Design under Uncertainty	Computational and Data-Driven Multi-Scale Design of Materials under Uncertainty: Current and Future Challenges
deterministic particle approximations	Deterministic particle approximations for nonlocal transport equations
device model	Is the device model of Perovskite based solar cells well defined?
dewetting	Instability, Rupture and Fluctuations in Thin Liquid Films: Theory and Computations Microscopical Justification of Solid-State Wetting and Dewetting
Diameter-modulated nanowire	Mechanisms of self-ordering in the synthesis of quasi-one-dimensional periodic core-shell nanostructures
dielectrophoresis	Dielectrophoretic modeling of cell sorting microfluidic platforms
differential geometry	Piecewise isometric origami Flexoelectric fluid membranes in confinement
Differential inclusion	Rigidity of branching microstructures in shape memory alloys
Diffraction and Scattering	Nonreciprocal optical behavior in high-loss magnetic-dielectric photonic crystals
diffuse interface model	Global existence of weak solutions to a diffuse interface model for magnetic fluids
diffuse interface models	Sharp Interface Limits for Diffuse Interface Models
diffusion	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
diffusion cell	Diffusive signaling and the role of receptor clustering in chemoreception
Diffusion generated motion	De Giorgi's inequality for the thresholding scheme with arbitrary mobilities and surface tensions
Diffusion Maps	Data-Driven Physics Discovery Predicting Plasticity in 2D Model Metallic Glasses Using the Local Yield Stress and Diffusion Maps
diffusion Monte Carlo	Some Recent Advances in Quantum Monte Carlo Methods
Diletrics	On density functional theory and macroscopic equations
dimension reduction	A one-dimensional model for elastic ribbons covering a broad range of thickness-to-width ratios Kirchhoff plate theory for periodic prestrained sheets Effective bending–torsion theory for rods with micro‐heterogeneous prestrain Theories for incompressible strings and rods: a rigorous derivation via Gamma-convergence Derivation of von Kármán plate theory in the framework of three-dimensional viscoelasticity
dimensional reduction	Dimensional Reduction for the SmA Ferroelectric Phase in Bent-Core Liquid Crystals
dimensionality reduction	Automated identification of collective variables and metastable states from molecular dynamics data
dimensionless study	Healing process modelling and lifetime evaluation for self-healing ceramic matrix composites
Diophantine approximation	Computing Quasiperiodic Systems
Dirac cones	Spectrum of graphene models in magnetic fields
Dirac Hamiltonian	A ''monopole-spectral flow'' correspondence for unidirectional waves in 2D.
Dirac operators	Dirac operators with magnetic links
direct minimization	Analysis of self-consistent field and direct minimization algorithms for electronic structure
directed polymer	A PDE hierarchy for directed polymers in random environments
Dirichlet problem	The shape of a surface under the effect of the gravity
disclination	Abnormal martensite microstructure in TiNi-based alloys not satisfying cofactor condition Collisions of monopoles and disclinations in nematics Defect formation, and removal, in liquid crystal devices
Disconnectivity graphs	Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes
Discontinuous basis	Discrete discontinuous basis projection method for large-scale density functional theory calculations
discrete approximations	A derivation of Griffith functionals from discrete finite-difference models
Discrete differential geometry	Hyperbolic Monge-Ampere equations, Lorentz surfaces and thin sheet elasticity.
discrete models	Pinning of interfaces in a random medium with zero mean
discrete particle systems	Fracture Models - Stochastic Homogenization and Continuum Limits of Discrete Particle Systems
discrete PDE	Discrete isoperimetric inequalities in periodic graphs and semidiscrete Optimal Transport
discrete-to-continuum	Modeling the Mechanics of 2D Materials
Discrete-to-continuum analysis	Geometrically frustrated spin systems: The antiferromagnetic XY model on the triangular lattice
Discrete-to-continuum limit	External forces in the continuum limit of discrete systems with non-convex interaction potentials Discrete-to-continuum limit of dislocation dynamics including collisions
discrete-to-continuum limits	Derivation of linear elasticity from atomistic energies with multiple wells Discrete-to-continuum limits for dislocations: results in one and two dimensions
discrete-to-continuum passage	Microscopical Justification of Solid-State Wetting and Dewetting
dislocation	Microstructures in multilayered graphene Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective Multiscle modeling of grain boundaries based on Peierls Nabarro description Robust edge modes in dislocated systems of subwavelength resonators Comparative atomistic-continuum modeling and experimental characterization of dislocation-solute interaction in binary alloys From Atomistic Model to the Peierls-Nabarro Model with gamma-surface for Dislocations
Dislocation climb	Dislocation climb models from atomistic scheme to dislocation dynamics
Dislocation dynamics	Dynamics of Grain Boundaries Based on Underlying Microstructures Boundary Condition for Dislocation Dynamic Simulation in BCC Crystal A Three-Dimensional Continuum model for Grain Boundary Motion Incorporating Dislocation Structure Mesoscale modelling of dislocation dynamics and plastic flow Dislocation climb models from atomistic scheme to dislocation dynamics Discrete-to-continuum limit of dislocation dynamics including collisions
Dislocation jogs	Dislocation climb models from atomistic scheme to dislocation dynamics
dislocation motion and reaction	Dynamics of Grain Boundaries Based on Underlying Microstructure
dislocation nucleation	Mesoscale modelling of dislocation dynamics and plastic flow
Dislocation self-climb	Dislocation climb models from atomistic scheme to dislocation dynamics
dislocations	Effects of Compositional Strain and Cottrell Atmospheres in Binary Systems by amplitude phase-field crystal modeling Multiscale modelling of dislocation patterning Equilibrium measures for nonlocal energies: The effect of anisotropy Stochastic Peierls-Nabarro Model for Dislocations in High Entropy Alloys Predicting complex dislocation dynamics using machine learning Fast and accurate density functional theory calculations reaching ~100,000 electrons using DFT-FE---a massively parallel real-space code using higher-order adaptive spectral finite-element discretization Discrete-to-continuum limits for dislocations: results in one and two dimensions Plasticity at different scales: from micro to macro
disorder	Polytypic and symmetry relations between Na2Mn3(SO4)4 polymorphs
dispersion	The slowdown of group velocity in periodic waveguides
dispersion relation	A study of dispersion relations for coupling nonlocal and local elasticities
dissipative particle dynamics	Accurate and efficient splitting methods for dissipative particle dynamics
Dissociation limit	The dissociation limit in the particle-hole random approximation
distortion	Invertibility properties of limits of Sobolev homeomorphisms
distributed-order derivatives	fVPINNs: Variational Physics-Informed Neural Networks for Fractional Differential Equations
Divergence in Probabilities	Training Generative Adversarial Nets through Divergence Minimization: Which Divergences to Use?
DMRG	Tensor network state methods for electronic structure calculations
DNA knots	Knotted liquid crystals in bacteriophage DNA
DNA liquid crystal	Knotted liquid crystals in bacteriophage DNA
DNA packing	Knotted liquid crystals in bacteriophage DNA
domain walls	Domain walls with nonlocal interaction and their renormalised energy in thin ferromagnetic films
dowser texture	Collisions of monopoles and disclinations in nematics
drift diffusion	Modelling perovskite solar cells: from drift diffusion to an equivalent circuit
drift-diffusion	Is the device model of Perovskite based solar cells well defined? An analytic model that describes the impedance response of perovskite solar cells near open-circuit
drift-diffusion equations	Modelling charge transport in perovskite solar cells: Potential-based and limiting ion depletion
drift-diffusion models	How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model
droplet motion	Motion of droplets in the stochastic Cahn-Hilliard model
drops	A phase-field model for computing elasto-capillary flows of liquid crystals
dyadic models	Blow-up of dyadic models for the magnetohydrodynamics
Dynamic	Nonlocal elastodynamics and fracture
dynamic boundary condition	On the numerical treatment of Cahn-Hilliard equations with dynamic boundary conditions
dynamic boundary conditions	Energetic Variational Approaches: Boundaries and Temperature
Dynamic energy release rate	Interaction of two moving interfacial Griffith cracks between two dissimilar functionally graded piezoelectric layers subject to electro-mechanical loading
dynamic fracture	On the wave equation on time-dependent domains and the problem of dynamic debonding
Dynamic homogenization	The electromomentum coupling in generalized Willis media
Dynamic homomgenization	Effective wave transmission at an interface between metamaterials.
dynamic laminates	The effective properties of some dynamic laminates
dynamic surface topographies	2D soft robotic functions formed in liquid crystal polymer network
dynamical systems	Energy-efficient flocking of active particles Active nematics: from turbulent to steered flows Three-dimensional solitons in flexoelectric nematic liquid crystals Oscillatory behavior of bubbleator dynamics
dynamics	Excitations in complex materials: accuracy, precision, feasibility Multiscale Simulations of Biomembrane Interactions with Small Molecules and Nanoparticles Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
dynamics of interfaces	On the wave equation on time-dependent domains and the problem of dynamic debonding
Dzyaloshinskii-Moriya interaction	Chiral magnetism: A geometric perspective
Dzyaloshinskii–Moriya interaction	The profile and the energetics of chiral skyrmions
E
Edge dislocations	Derivation of linearised polycrystals from a 2D system of edge dislocations
edge-isoperimetric inequality	Discrete isoperimetric inequalities in periodic graphs and semidiscrete Optimal Transport
Effective coefficients	Application of homogenization theory to polyurethane foam
effective dynamics	Effective dynamics along a reaction coordinate and its application in the timescale estimation of molecular dynamics
Effective free energies	Landau-de Gennes effective free energies for nematic colloids
Effective Propoerties	Homogenization for a Variational Problem witha Slip Boundary Condition
Effective wave transmission	Effective wave transmission at an interface between metamaterials.
efficiency	Photostress and Photowork: characterizing the photomechanical response of materials
egg-carton surfaces	Egg Carton Surfaces in Cholesteric Liquid Crystals: Geometry of Biaxial Wrinkling Waves
eigendeformation	Eigendamage: An Eigendeformation Model for Cohesive Fracture
Eigenproblem	Discrete discontinuous basis projection method for large-scale density functional theory calculations
eigenvalue problem	Numerical Analysis of the Multiple Scattering Method for Quantum Eigenvalue Problems Plane wave methods for quantum eigenvalue problems of incommensurate systems A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
Eigenvalue problems	Using the Feshbach-Schur map to solve eigenvalue problems: analysis and error estimation
eigenvalues	Coordinate Descent FCI for Excited States Calculation
eigenvector localization	Solving the k-sparse Eigenvalue Problem with Reinforcement Learning
Eigenvector sensitivity	Sensitivity analysis of eigenfunctions
Eikonal	Peridynamic solution of hyperbolic equations including Eikonal
eikonal equation	A variational model for smectics in SBV
elastic energy	A unified model for stress-driven rearrangement instabilities
Elastic Flow	On the elastic flow of networks
Elastic plates	Effective theories and energy minimizing configurations for heterogeneous multilayers
elastic rod	A bending‐twist model for elastic rods
elastic shape optimization	A two scale approach to printable microstructures
elastic tensor	Rolling Waves with Non-Paraxial Phonon Spins
elastic wave	Rolling Waves with Non-Paraxial Phonon Spins
Elastic wave metamaterial	Numerical investigation of a nonreciprocal elastic wave circulator
elasticity	Nonlocal elastodynamics and fracture On variational models for the geometry of martensite needles Energy scaling of step bunching and undulation instabilities for epitaxial growth with elastic effects in 2+1 dimensions The effect of elasticity and stochastic disturbances on the spatial localization of optimal controllers and estimators Numerical solutions to the free boundary problem for a void in a stressed solid with anisotropic surface energy
elasticity and plasticity theory	Asymptotic rigidity and homogenization of variational models for anisotropic high-contrast composites
Elastodynamics	The electromomentum coupling in generalized Willis media
electric field	Free surface dynamics of nematic liquid crystal films: dewetting and dielectrowetting
electric fields	Electro-prewetting phase transitions and pattern-formation in liquid mixtures in electric field gradients A Model Liquid Crystal Cell in an RC Circuit
Electrocatalytic reactions	Electrochemical Many Particle Systems with Coexisting States: From nonlinear phase-transitions to collective oscillations
electrochemistry	Is the device model of Perovskite based solar cells well defined?
Electromagnetic scattering	The coherent electromagnetic field by a particulate media – numerical implementation in a planar geometry
electron correlation	Density Functional Theory: Overview and Open Challenges Reinforcement Learning Configuration Interaction
electron microscopy	Can (almost) unsupervised machine learning learn chemistry and physics from atomically-resolved imaging data?
Electron structure calculations	A stochastic algorithm for Born-Oppenheimer Molecular dynamics
electron-backscatter diffraction	Weighted total variation based algorithms for reconstruction of grain orientation data: a comparative study
Electronic structure	Low scaling algorithm for the ppRPA correlation energy Scalable variational embedding for quantum many-body problems The dissociation limit in the particle-hole random approximation Fast and accurate density functional theory calculations reaching ~100,000 electrons using DFT-FE---a massively parallel real-space code using higher-order adaptive spectral finite-element discretization Treecode-Accelerated Green Iteration for Kohn-Sham Density Functional Theory Analysis of self-consistent field and direct minimization algorithms for electronic structure
Electronic structure calculation	Numerical methods for open-shell electronic systems
Electronic Structure Calculations	Using the Feshbach-Schur map to solve eigenvalue problems: analysis and error estimation Computing the Kubo conductivity for incommensurate layered crystals using configuration space Approximation theoretical bounds on neural network emulation of Hartree-Fock eigenfunctions
electronic structure models	Mathematical Models of Electronic Structure
Electronic structure theory	Density Functional Theory: Overview and Open Challenges High Performance Computing Aspects in Electronic Structure Calculations
electrostatics	Ion-dependent DNA Configuration in Bacteriophage Capsids Ion-dependent DNA Configuration in Bacteriophage Capsids
Elliptic Approximation	Asymptotic analysis of singularly perturbed elliptic functionals
Elliptic equation	Application of homogenization theory to polyurethane foam
elliptic functions	Flexible quad-surfaces: beyond Miura-ori
elliptic regularity	Regularity for non-uniformly elliptic equations and applications to the random conductance model Lower bound for the coalescence load in 2D neoHookean materials
embedded eigenvalue	Aspects of the spectrum of multi-layer graphene-type graph operators
embrittlement	Hydrogen induced fast-fracture
energetic variational approach	Generalized law of mass action (LMA) with energetic variational approaches (EnVarA) and applications Energetic Variational Approaches: Boundaries and Temperature
energies minimality	On nonlocal energies in the class of polytopes
energy and energy-dissipation	Optimal convergence for the Mullins-Sekerka evolution
energy landscape	A Method of Designing a Prescribed Energy Landscape for Morphing Structures Solution landscape of a reduced Landau–de Gennes model on a hexagon
Energy landscapes	Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes
energy minimisation	Multiplicity of solutions and wetting transitions for nematic liquid crystal ridges
energy minimization	DNA Configurations of Bacteriophage Viruses: Energetics of Packaging and Phase Transitions Discrete-to-continuum limits for dislocations: results in one and two dimensions Spontaneous Topography in Liquid Crystal Films
energy scaling	Low volume fraction microstructures in shape-memory alloys On variational models for the geometry of martensite needles Microstructures in Shape-Memory Alloys: Rigidity vs Flexibility
energy scaling law	Energy scaling of step bunching and undulation instabilities for epitaxial growth with elastic effects in 2+1 dimensions
energy scaling laws	Energy scaling for a conically constrained sector
Energy Stability	Asymptotic Behaviour of Time Stepping Methods for Phase Field Models
energy stable	SAV approach with Lagrange multipliers for gradient systems with global constraints
energy storage	Computational exploration of energy storage materials using theoretical chemistry and machine learning
energy systems
enhanced sampling	Atomistic understanding of interface migration - Combining machine learning, path collective variables, and enhanced sampling
ensemble-averaged solution operator	On the Bourgain-Spencer conjecture in stochastic homogenization
entangement	Tensor network state methods for electronic structure calculations
entanglement	Entanglement and tensor truncations in matrix product state simulations
entropy	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers Entropy decay in grain growth
entropy solutions	Deterministic particle approximations for nonlocal transport equations On a non-isothermal Cahn-Hilliard model based on a microforce balance
Entropy Techniques	The Adaptive Biasing Force algorithm with non-conservative forces
epitaxial growth	Energy scaling of step bunching and undulation instabilities for epitaxial growth with elastic effects in 2+1 dimensions A variational model for epitaxial crystal growth with adatoms
Equation of state	Revisiting the hard-particle equation of state
equatorial waves	Topological indices for shallow-water waves.
equilibrium	Numerical solutions to the free boundary problem for a void in a stressed solid with anisotropic surface energy
Equilibrium solutions	A coagulation-fragmentation-death model for silicosis
Ericksen-Leslie equations	Confined active matter: bacteria swimming in chromonic liquid crystals
Ericksen-Leslie model	Weak compactness of two-dimensional liquid crystal and magnetic flows
error estimate	A priori error analysis of a numerical stochastic homogenization method
error estimates	New proofs for some old MsFEM methods
error estimation	Using the density-functional toolkit (DFTK) to design black-box methods in density-functional theory
Essential instability	Confined active matter: bacteria swimming in chromonic liquid crystals
Euler elastica	Twisted topological tangles or: the knot theory of knitting
Euler equations	Point vortex dynamics for the Euler equations
Euler-Lagrange equations	Theories for incompressible strings and rods: a rigorous derivation via Gamma-convergence
Exascale Computing	Sub-Lattice Parallel Trajectory Splicing: Application to Adatom Migration in Tungsten
exceptional points	New Frontiers in Nonreciprocity: Broadband Nonreciprocal Effects, Giant Nonlinear Processes, and Drift-Biased Nonreciprocal Media Anomalous energy transport in laminates with exceptional points Topologically protected edge modes in non-Hermitian subwavelength resonator structures
Exchange Correlation	Recent progress towards large-scale quantum accuracy materials simulations
exchange-correlation functional	A data driven approach to improved exchange-correlation functionals in DFT
exchange-correlation potential	A data driven approach to improved exchange-correlation functionals in DFT
excitations	Excitations in complex materials: accuracy, precision, feasibility New optimal control problems in density functional theory motivated by photovoltaics Stochastic approaches to many-body perturbation theory
excited states	Coordinate Descent FCI for Excited States Calculation Analysis of a two-particle model for dynamics of excited states in solids
excitons	Analysis of a two-particle model for dynamics of excited states in solids
Existence	Borderline existence problems for nematic elastomers and neoHookean materials
Existence and well posedness	A coagulation-fragmentation-death model for silicosis
experimental data	Experimental Detection and Shape Reconstruction of Inclusions in Elastic Bodies via Monotonicity-Based Methods
Experimental methods	Experimental Determination of Auxeticity in Periodic Structures
explicit minimisers	Plasticity at different scales: from micro to macro
explicit stabilized methods	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
Extension	Korn inequalities in GSBD and applications
External forces	External forces in the continuum limit of discrete systems with non-convex interaction potentials
extrapolation	Data driven multiscale interatomic potentials and the problem of extrapolation Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
Extreme-mechanics	Oscillating membranes: modeling and controlling autonomous shape-transforming sheets
Eyring-Kramers formula	Foundation of first order kinetics: the quasi stationary distribution approach.
Eyring-Kramers law	Eyring-Kramers law for overdamped Langevin process
F
f-divergence	Training Generative Adversarial Nets through Divergence Minimization: Which Divergences to Use?
fast nonlinear solvers	Numerical Comparisons of Some Semi-implicit and Fully Implicit Solvers for Functionalized Cahn-Hilliard and Phase Field Crystal Equations.
Fast rotation	Some mathematical aspects of geophysical fluid dynamics
Fast Subspace Descent scheme	Nonlinear Multilevel Methods for Frank-Oseen Liquid Crystal Models
FCH equation	Numerical Comparisons of Some Semi-implicit and Fully Implicit Solvers for Functionalized Cahn-Hilliard and Phase Field Crystal Equations.
FCI	Optimal orbital selection for full configuration interaction (OptOrbFCI): Pursuing the basis set limit under a budget
Fermi surface	Aspects of the spectrum of multi-layer graphene-type graph operators
ferroelectricity	A general kinetic phase field model for ferroelectric ceramics
Ferromagnetic Resonance	Highly Nonlinear Ferromagnetic Resonance in Nanomagnets
ferromagnetism	Ferromagnetism at nanoscale
Ferronematics	Ferronematics in Confinement - Order Reconstruction, Defects and Multistability
Feshbach-Schur map	Using the Feshbach-Schur map to solve eigenvalue problems: analysis and error estimation
Feynman-Kac formula	A probabilistic view on the long-time behaviour of growth-fragmentation equations with bounded fragmentation rates
fibrous matrix	Modelling, Analysis and Computation of Cell-Induced Phase Transitions in Fibrous Biomaterials
Filtration	Mechanics of Masks
Fine structure constant	The reduced Hartree-Fock model with self-generated magnetic Fields
fingerprint	A Topological Fingerprint for Periodic Crystals
finite 3D lattices	Tensor numerical modeling of the collective electrostatic potentials of many-particle systems
finite difference methods	A derivation of Griffith functionals from discrete finite-difference models
Finite elasticity	Recent results on the variational theory of linearized elasticity
Finite element analysis	Numerical investigation of a nonreciprocal elastic wave circulator
finite element method	Towards efficient computation for ground state calculation in density functional theory Simulation of free boundaries and interfaces in nonlinear plate bending A structure-preserving finite element method for uniaxial nematic liquid crystals On the numerical treatment of Cahn-Hilliard equations with dynamic boundary conditions Numerical approximation of the inertial Landau-Lifshitz-Gilbert equation Mathematical modeling of biodegradation of metallic biomaterials using reaction-diffusion-convection equations and level set method
finite element methods	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
finite element simulations	Flexoelectric fluid membranes in confinement
Finite elements	Shape optimization problems in Liquid Crystals Recent progress towards large-scale quantum accuracy materials simulations Spontaneous Topography in Liquid Crystal Films
finite range	Optimal artificial boundary conditions for three dimensional elliptic random media
finite temperature	Finite Temperature Cauchy-Born Rule and Stability of Crystalline Solids with Point Defects
Finite volume methods	Modelling charge transport in perovskite solar cells: Potential-based and limiting ion depletion
Finite-element method	Nucleation of Fractional Operators in Material Failure: A Local Nonlocal Approach Predictive simulation of grain boundary evolution
Finite-size effects	Continuum approach for studying morphological deformations of multiple-phase organic photovoltaic cells
first passage time	Exploiting history information to analyze molecular dynamics simulations
first-order rigidity	Statics, pre-stress stability and second-order rigidity of rigid origami
First-Principles density functional theory	First-principles calculations for compositional prediction of phase-change materials
first-step analysis	Exploiting history information to analyze molecular dynamics simulations
fixed-bed adsorption	Resolving the Shock Layer in Fixed-Bed Adsorption with Boundary Layer Theory
flexibility	Microstructures in Shape-Memory Alloys: Rigidity vs Flexibility
flexible electronics	Buffering by buckling: Changing apparent Gaussian curvature isometrically
flexible quad-surfaces	Flexible quad-surfaces: beyond Miura-ori
flexoelectric membranes	Flexoelectric fluid membranes in confinement
flexoelectricity	Three-dimensional solitons in flexoelectric nematic liquid crystals
flocking	Energy-efficient flocking of active particles
Floquet	Gaps and effective gaps in Floquet media
Floquet Topological Insulator	Multiscale Invariants of Floquet Topological Insulators
Flow instability	The many behaviors of deformable active droplets
Flow of free interfaces	Rifting of extensional flows
Flow of thin films	Rifting of extensional flows
flowers	Flower Pigment Patterns
fluctuation theorems	Physics-based data-driven discovery of continuum equations
Fluctuations	Approximating the fluctuations in random heterogeneous problems
fluid dynamics	Free surface dynamics of nematic liquid crystal films: dewetting and dielectrowetting
fluid flow	Dielectrophoretic modeling of cell sorting microfluidic platforms
Fluid mechanics	Architecting soft functional materials with instabilities
fluid permeability	Integral representation of fluid permeability
focal adhesion	An elasto-plastic model for the mechanical interaction between cell and ECM
focal conic domains	Bifurcation analysis of a new Q-tensor model for Smectic-A liquid crystals
Fokker Planck equation	Towards a gradient flow for microstructure
foldable composites	Foldable Structures and Materials
formal asymptotics	Oscillatory behavior of bubbleator dynamics
formation process	Born to be different: modelling formation of metallic nanoparticles and their consequences
Fractional Laplacian	Nucleation of Fractional Operators in Material Failure: A Local Nonlocal Approach
Fractional mean curvature flows	Stability results for nonlocal geometric evolutions
fractional models	Analysis of Anisotropic Nonlocal Diffusion Models: Well-posedness of Fractional Problems for Anomalous Transport
Fractional Operators	Fractional Operators with Variable Exponent and Applications
fractional PDEs	fVPINNs: Variational Physics-Informed Neural Networks for Fractional Differential Equations
Fractional perimeters	Stability results for nonlocal geometric evolutions
Fractional power of parabolic operators	Regularity theory for nonlocal space-time master equations
fracture	Nonlocal elastodynamics and fracture Hydrogen induced fast-fracture Investigation of Microscale Fracture Mechanisms in Glass-Ceramics using Peridynamics Simulations Fracture Models - Stochastic Homogenization and Continuum Limits of Discrete Particle Systems Axisymmetric penny-shaped fracture problem at nanoscale Debonding of a gel from a rigid substrate
fracture mechanics	Variational and phase-field models of brittle fracture.
fracture modelling	Convergence studies in meshfree peridynamic wave and crack propagation
Fragmentation equation	Inverse problem for fragmentation equation
Frank’s formula	A Three-Dimensional Continuum model for Grain Boundary Motion Incorporating Dislocation Structure
Fredholm integral equations	Interaction of two moving interfacial Griffith cracks between two dissimilar functionally graded piezoelectric layers subject to electro-mechanical loading
free boundary problem	2D Stokes Problem With a Moving Contact Line A unified model for stress-driven rearrangement instabilities Optimal convergence for the Mullins-Sekerka evolution
free boundary problem of antiplane elasticity	Free boundary problem of antiplane elasticity of inclusions in a half-plane
free boundary problems	Analytical validation of variational models for epitaxially strained thin films Traveling wave solutions to the free boundary Navier-Stokes equations Energy-based variational approach to moving interfaces and contact lines
free discontinuity problems	Variational and phase-field models of brittle fracture. A variational model for smectics in SBV Existence and approximation of equilibrium configurations for epitaxially strained crystalline films
Free Energy	Machine Learning based Collective Variable Discovery in Molecular Dynamics The Adaptive Biasing Force algorithm with non-conservative forces
free energy computation	Finding reaction coordinates with machine learning techniques for free energy computations
Free interfaces	Spontaneous Topography in Liquid Crystal Films
free surface	Multiplicity of solutions and wetting transitions for nematic liquid crystal ridges
free surface flow	Free surface dynamics of nematic liquid crystal films: dewetting and dielectrowetting
free volume	Leaky Cell Model of Hard Spheres
free-boundary problem	Numerical solutions to the free boundary problem for a void in a stressed solid with anisotropic surface energy
free-discontinuity functionals	Homogenization of free-discontinuity functionals in randomly perforated domains
free-discontinuity problems	Stochastic Homogenisation of Free-Discontinuity Problems Asymptotic analysis of singularly perturbed elliptic functionals Gamma-convergence for free-discontinuity problems in linear elasticity
frictionless contact	Frictionless indentation of a rigid stamp into a half-space
Friedrichs systems	On Abstract Friedrichs Systems and their Use in Complex Media.
Frustrated lattice systems	The antiferromagnetic XY model on the triangular lattice: topological singularities Variational analysis of a two-dimensional frustrated spin system: emergence and rigidity of chirality transitions
Frustration	Contact geometry and the structure and elasticity of chiral materials
Full Approximation Storage scheme	Nonlinear Multilevel Methods for Frank-Oseen Liquid Crystal Models
full configuration interaction	Coordinate Descent FCI for Excited States Calculation
fullerene	Symmetry in structural biology: from viral capsids to self-assembling nanoparticles
Functional devices	Responsive materials and integrated functional devices
Functional materials	Piecewise isometric origami
Functionalized Cahn Hilliard	Sterols and phospholipids: from self-consistent mean field theory to phase field reduction
Functionally graded piezoelectric materials	Interaction of two moving interfacial Griffith cracks between two dissimilar functionally graded piezoelectric layers subject to electro-mechanical loading
G
G-Brownian motion	Goal-oriented coarse-graining of multiscale diffusions with parameter uncertainties
Gamma convergence	Cubic microlattices embedded in nematic liquid crystals - a Landau-De Gennes study Qualitative behavior of phase transitions in heterogeneous media External forces in the continuum limit of discrete systems with non-convex interaction potentials Continuum limits of discrete isoperimetric problems and Wulff shapes in lattices and quasicrystal tilings
Gamma-convergence	Equilibrium configurations of particle systems in external potentials Dimensional Reduction for the SmA Ferroelectric Phase in Bent-Core Liquid Crystals Stochastic Homogenisation of Free-Discontinuity Problems Asymptotic rigidity and homogenization of variational models for anisotropic high-contrast composites Derivation of linear elasticity from atomistic energies with multiple wells A structure-preserving finite element method for uniaxial nematic liquid crystals Homogenization of free-discontinuity functionals in randomly perforated domains Rugosity effects in liquid crystals Domain walls with nonlocal interaction and their renormalised energy in thin ferromagnetic films Kirchhoff plate theory for periodic prestrained sheets Geometric linearization of theories for incompressible elastic materials Discrete-to-continuum limits for dislocations: results in one and two dimensions Emergence of rigid Polycrystals from atomistic Systems with Heitmann-Radin sticky disk energy Theories for incompressible strings and rods: a rigorous derivation via Gamma-convergence Gamma-convergence for free-discontinuity problems in linear elasticity Geometrically frustrated spin systems: The antiferromagnetic XY model on the triangular lattice Asymptotic analysis of singularly perturbed elliptic functionals Fracture Models - Stochastic Homogenization and Continuum Limits of Discrete Particle Systems Does the N-clock model approximate the XY model? Variational analysis of a two-dimensional frustrated spin system: emergence and rigidity of chirality transitions Recent results on the variational theory of linearized elasticity
Gamma-limit	A simple variational problem in a one-dimensional cholesteric
gamma-surface	Stochastic Peierls-Nabarro Model for Dislocations in High Entropy Alloys From Atomistic Model to the Peierls-Nabarro Model with gamma-surface for Dislocations
Gap	Gaps and effective gaps in Floquet media
gauge theory	Chiral magnetism: A geometric perspective
Gauss morphing	Flat inflatables: shape programming through seam patterning
Gaussian curvature	Shape programming using lines of concentrated Gaussian curvature Joining metric-compatible actuated shapes at creases with Gaussian curvature
Gaussian process	Data Assimilation and Mixed-Variable Metamodeling with Latent Map Gaussian Processes
gaussian processes	Sparse Quantum Gaussian Processes
Gaussian-curvature	Oscillating membranes: modeling and controlling autonomous shape-transforming sheets
GBCD: grain boundary character distribution	Towards a gradient flow for microstructure
gel film	Debonding waves in gel thin films
Gelation	Large Deviations for Coagulation including the Gel
Gels	Debonding of a gel from a rigid substrate
generalized eigenvalue problem	Large-Scale Eigenmode Computation for Magnetization Dynamics in Micromagnetic Systems
Generative Adversarial Nets	Training Generative Adversarial Nets through Divergence Minimization: Which Divergences to Use?
generative adversarial networks	Physics-based machine learning for multiscale computer simulations
generative model	Inverse materials design using machine learning
Generative Modelling	Training Generative Adversarial Nets through Divergence Minimization: Which Divergences to Use?
Geometric Analysis	LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT
geometric evolution	Nucleation and growth of lattice crystals Bifurcation & Competitive Evolution of Network Morphologies in the Functionalized Cahn-Hilliard Eqaution
Geometric evolutions	Stability results for nonlocal geometric evolutions
Geometric Frustration	Geometric Frustration and the Intrinsic Approach to Material
Geometric rigidity	Derivation of linear elasticity from atomistic energies with multiple wells
geometric singular perturbation	Robust Stability of Multicomponent Membranes: the role of Cholesterol
Geometric surface partial differential equations	A robust and efficient adaptive multigrid solver for the optimal control of geometric surface evolution laws with applications to cell migration
Geometrical frustration	Delamination of a thin film from adhesive sphere: From multi-fold and multiply-ruck patterns to blister networks
geometrically frustrated smectic	Wrinkles in elastic sheets and defect-proliferated patterns in liquid crystalline phases
geometrically linear theories	Geometric linearization of theories for incompressible elastic materials
geometrically linear theory of elasticity	Symmetric polyconvexity: Characterizations and applications in relaxation theory
geometrically nonlinear model	Energy minimizing twisting twin patterns in nonlinear elasticity
Geometry	Data Analysis in Soft Matter and Molecular Simulations using Topology and Random Field Theory Motif Graphs Provide Continuous Isometry Invariants of Periodic Point Sets Shape and Pattern in Biological System – Classifying Aortic Geometry from Clinical Data On the local mechanics of Kirigami Generalized Stress Potentials in Nonlinear Incompatible Elasticity
giant focusing	Superdimensional metamaterial resonators
Ginzburg-Landau	A Ginzburg-Landau model for the light-matter interaction in nematic liquid crystals
glacier	Multiscale mechanics and recrystallization of glacier ice
glass	Statistical Topology of Bond Networks
Glass-Ceramics	Investigation of Microscale Fracture Mechanisms in Glass-Ceramics using Peridynamics Simulations
global solvability	Growth-fragmentation-coagulation equations with unbounded coagulation kernels
Global-in-time existence	On a non-isothermal Cahn-Hilliard model based on a microforce balance
GPU	Recent progress towards large-scale quantum accuracy materials simulations
GPU simulations	The role of nucleation in grain growth simulations of polycrystals
gradient flow	Towards a gradient flow for microstructure Relaxation for L^1 disturbances in the Cahn-Hilliard equation and the two-phase Stefan problem
Gradient flows	De Giorgi's inequality for the thresholding scheme with arbitrary mobilities and surface tensions Energy-based variational approach to moving interfaces and contact lines Variational Lagrangian schemes to generalized diffusions, gradient flows and beyond: A discrete energetic variational approach
grain boundaries	Evolution of grain boundaries Grain Structure, Grain Growth and Evolution of the Grain Boundary Network
Grain Boundary	Inference, Uncertainty Quantification, and Uncertainty Propagation for Grain Boundary Structure-Property Models Multiscle modeling of grain boundaries based on Peierls Nabarro description
Grain boundary detection	Automated Grain Boundary Detection in TEM images of Polycrystalline Materials
Grain boundary dynamics	Dynamics of Grain Boundaries Based on Underlying Microstructures Dynamics of Grain Boundaries Based on Underlying Microstructure A Three-Dimensional Continuum model for Grain Boundary Motion Incorporating Dislocation Structure
Grain boundary energy	Finding grain boundary energy by constrained minimization
Grain Boundary Mobility	Grain Boundary Mobilities in Polycrystals: A Challenge for Materials Modeling
grain boundary motion	A curve shortening equation with time-dependent mobility related to grain boundary motions
Grain Boundary Properties	Grain Boundary Mobilities in Polycrystals: A Challenge for Materials Modeling
grain coarsening	Topological defects in two-dimensional orientation-field models for grain growth
grain growth	De Giorgi's inequality for the thresholding scheme with arbitrary mobilities and surface tensions The role of nucleation in grain growth simulations of polycrystals Simulation of normal grain growth by the S-PFM method Evolution of grain boundaries with dynamic lattice orientations and triple junction drag Tales of the Abnormal: Grain Growth in Particle-Containing Systems Entropy decay in grain growth Towards a Predictive Theory of Grain Growth: Experiments, Simulations and Data Analytics Grain Structure, Grain Growth and Evolution of the Grain Boundary Network Predictive simulation of grain boundary evolution
grain orientation data	Partial Differential Equation Based Methods for Reconstruction of Grain Orientation Data
Grain shape quantification	Uncertainty Quantification of Microstructures using Shape Moment Invariants
Granular materials	Persistent homology on particulate media from the observed position of the particles
graph	Statistical Topology of Bond Networks
graph theory	Predictive simulation of grain boundary evolution
graphene	Microstructures in multilayered graphene Coarse-Grained Peridynamic Model for Graphene Multiscale Modelling of Structure and Heat Transport in 2D Materials Aspects of the spectrum of multi-layer graphene-type graph operators Modeling buckling and topological defects in stacked two dimensional layers ofgraphene and hexagonal boron nitride Modeling the Mechanics of 2D Materials Gaps and effective gaps in Floquet media Twisted Trilayer Graphene: a Precisely Tunable Platform for Correlated Electrons
Graphene in magnetic fields	Spectrum of graphene models in magnetic fields
Grassmann Manifold	Predicting Plasticity in 2D Model Metallic Glasses Using the Local Yield Stress and Diffusion Maps
Green Iteration	Treecode-Accelerated Green Iteration for Kohn-Sham Density Functional Theory
Green's functions	Localized patterns and narrow escape problems in more general geometries
Griffith energy	Korn inequalities in GSBD and applications
griffith fracture	Energetic bounds for paperboard delamination under bending
Griffith functional	A derivation of Griffith functionals from discrete finite-difference models
Group theory	Origami with Conformal and Helical Symmetry
group velocity	The slowdown of group velocity in periodic waveguides
growth	Surface growth of geometrically frustrated solids A field theory for plant tropisms and axonal durotaxis
growth model	Oscillatory behavior of bubbleator dynamics
growth tensor	An initial experience of constrained mixture based cardiac growth and remodelling
growth-fragmentation	Mathematical analysis of the prion equation Probabilistic views on growth-fragmentation equations
growth-fragmentation and coagulation models	Growth-fragmentation-coagulation equations with unbounded coagulation kernels
growth-fragmentation equation	Spectral gap for the growth-fragmentation equation via Harris's Theorem A probabilistic view on the long-time behaviour of growth-fragmentation equations with bounded fragmentation rates
GSBD^p	LOWER SEMICONTINUITY FOR FUNCTIONALS DEFINED ON PIECEWISE RIGID FUNCTIONS AND ON GSBD
Gurtin-Murdoch surface energy	Axisymmetric penny-shaped fracture problem at nanoscale
H
h-adaptive mesh method	Towards efficient computation for ground state calculation in density functional theory
H-measures	Rigidity of branching microstructures in shape memory alloys
Hall coefficient	Tailoring the effective Hall matrix by 3D metamaterials
hard disks	Topology of the configuration space of hard disk systems
Hard particles	Revisiting the hard-particle equation of state
hard spheres	Leaky Cell Model of Hard Spheres
Harmonic maps	Skyrmions and stability of degree 1 harmonic maps from the plane to the two-dimensional sphere
Harmonic search	Screening Energetically Stable Structures of LLZO garnets for Lithium-Ion Battery Applications with a Reduced Discrete Optimization Model
Harnack inequalities	Regularity theory for nonlocal space-time master equations
Harris's theorem	Spectral gap for the growth-fragmentation equation via Harris's Theorem
Hartree-Fock	Approximation theoretical bounds on neural network emulation of Hartree-Fock eigenfunctions
HEA	Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective
heat conductivity	Multiscale Modelling of Structure and Heat Transport in 2D Materials
heat transport	Homogenization of thermal properties of composite systems in the mesoscale regime. Case Study: Toroidal Inclusions.
Helfrich functional	Evolution of Vector Fields on Flexible Curves and Surfaces
helical	Exact minimal parking garages: Optimal packing of biological membranes with helical motifs requires pitch balance
Helmholtz decompositions	Nonlocal operators on bounded and unbounded domains
Helmholtz Projection	The Adaptive Biasing Force algorithm with non-conservative forces
Herglotz functions	Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
heteroepitaxy
hexagonal boron nitride	Modeling buckling and topological defects in stacked two dimensional layers ofgraphene and hexagonal boron nitride
hexagonal lattice	Non-hexagonal lattices from a two species interacting system
Hierarchical viscoelastic composites	Multi-scale Homogenization of Hierarchical Viscoelastic Composites
High Entropy Alloy	Atom Sequencing for Disordered Materials
High entropy alloys	Classifying Crystal Structures via Bayesian Topological Learning
high performance computing	Reinforcement learning and machine learning for characterization and design of matter at the atomic scale High Performance Computing Aspects in Electronic Structure Calculations
high throughput screening	Computational topology meets material science
high-contrast media	Stochastic homogenization of high-contrast media
High-Dimensional data visualization	Visualisation of large crystal datasets by using TreeMaps and isometry invariants
high-dimensional distributions	A Novel Hybrid Monte Carlo Algorithm for Sampling Path Spaces
High-Entropy Alloys	Stochastic Peierls-Nabarro Model for Dislocations in High Entropy Alloys
High-order imperfect interface models	High order imperfect interface models for 2D potential problems with thin layers: Theory, computations, and applications
high-throughput	Using the density-functional toolkit (DFTK) to design black-box methods in density-functional theory
higher codimensional boundaries	Traces for Functions with No Differentiability
Higher Order Continuum Model	Approximation of the Atomistic Model by Higher Order Continuum Model
higher regularity	Microstructures in Shape-Memory Alloys: Rigidity vs Flexibility
hinges	Design of hinged 3D auxetic mechanisms
holomorphic representation	Exact minimal parking garages: Optimal packing of biological membranes with helical motifs requires pitch balance
Homogeneization	Flat inflatables: shape programming through seam patterning Optimizing the diffusion of overdamped dynamics
Homogenisation problem	Cubic microlattices embedded in nematic liquid crystals - a Landau-De Gennes study Landau-de Gennes effective free energies for nematic colloids
homogenization	Stress minimization with lattice structures Quasi-crystalline homogenization of integral energies subjected to differential constraints Limiting boundary correctors for periodic microstructures and inverse homogenization series Forward and inverse homogenization for quasiperiodic composites Asymptotic rigidity and homogenization of variational models for anisotropic high-contrast composites Data-driven learning of nonlocal physics from high-fidelity synthetic data Qualitative behavior of phase transitions in heterogeneous media Kirchhoff plate theory for periodic prestrained sheets Stochastic homogenization on randomly perforated domains Effective bending–torsion theory for rods with micro‐heterogeneous prestrain Gamma-convergence for free-discontinuity problems in linear elasticity Homogenization for a Variational Problem witha Slip Boundary Condition Asymptotic analysis of singularly perturbed elliptic functionals Diffusive signaling and the role of receptor clustering in chemoreception The Effect of Electric Torques on the Homogenized Response of Dielectric Elastomer Composites at Finite Strains The effective properties of some dynamic laminates Effective Behavior of Viscoelastic Composites with Regular Periodic Microstructures A Real-Space Two-Scale Analysis of the Polarization Density in Ionic Solids Homogenization of thermal properties of composite systems in the mesoscale regime. Case Study: Toroidal Inclusions. Homogenization of a non-dilute suspension of a viscous fluid with magnetic particles
homogenization theory	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds Application of homogenization theory to polyurethane foam
Honeycomb conjecture	Asymptotic optimality of the triangular lattice for a class of optimal location problems
HT	Tensor network state methods for electronic structure calculations
hybrid KMC	Trying to model long time ageing using AKMC: the need to turn to mixed/hybrid methods
hybrid method	A Nitsche type multiscale method with non-matching grids
Hybrid Monte Carlo	A Novel Hybrid Monte Carlo Algorithm for Sampling Path Spaces
hybrid spin textures	Ferromagnetic and synthetic antiferromagnetic skyrmions in magnetic multilayers: 3D textures and investigations of the Dzyaloshinskii-Moriya interaction
Hybrid Wannier functions	The localization-topology correspondence via projected position operators
hydraulic fracture	Hydraulic fracture of cells and tissues
Hydrogen storage	Hydrogen storage in Pd nanoparticles
hyperbolic	Peridynamic solution of hyperbolic equations including Eikonal
Hyperbolic geometry	Hyperbolic Monge-Ampere equations, Lorentz surfaces and thin sheet elasticity.
Hyperelasticity	Nonlocal models in Elasticity
Hysteresis	Removing hysteresis from magnetic materials
I
ice	Multiscale mechanics and recrystallization of glacier ice
ice sheet	Multiscale mechanics and recrystallization of glacier ice
Ill conditioned	Sloppy models, differential geometry, and why science works
Image moments	Uncertainty Quantification of Microstructures using Shape Moment Invariants
image processing	Automated Grain Boundary Detection in TEM images of Polycrystalline Materials
image-based modelling	Healing process modelling and lifetime evaluation for self-healing ceramic matrix composites
Imaging Science	Fractional Operators with Variable Exponent and Applications
Impedance condition	Application of non-iterative topological sensitivity based algorithms to the detection of multiple impedance obstacles
impedance spectroscopy	An analytic model that describes the impedance response of perovskite solar cells near open-circuit
importance sampling	A more efficient way to sample rare events through a combination of importance sampling and Adaptive Multilevel Splitting
in silico	Intelligent in silico Material Design by Deep Learning Networks
In-situ and ex-situ grain growth experiments	Towards a Predictive Theory of Grain Growth: Experiments, Simulations and Data Analytics
Incommensurability	Computing the Kubo conductivity for incommensurate layered crystals using configuration space
Incommensurable magnetic structures
incommensurate systems	Plane wave methods for quantum eigenvalue problems of incommensurate systems
incompatibility	Surface growth of geometrically frustrated solids
incompressibility	Geometric linearization of theories for incompressible elastic materials Theories for incompressible strings and rods: a rigorous derivation via Gamma-convergence Lower bound for the coalescence load in 2D neoHookean materials
Incompressible limit	Some mathematical aspects of geophysical fluid dynamics
Incremental nonlinear poroelasticity	AI-aided, incremental numerical approach for finite strain poroelasticity: On the brain tissue deformation
Inflatable structures	Flat inflatables: shape programming through seam patterning
inflation	Multistable inflatable origami structures at the meter-scale
Influence function	A machine-learning framework for peridynamic material models with physical constraints
Information geometry	Sloppy models, differential geometry, and why science works
Information theory	Uncertainty Quantification for Probabilistic Graphical Models
inhomogeneous systems	Using the density-functional toolkit (DFTK) to design black-box methods in density-functional theory
injectivitiy up to isometry	A Topological Fingerprint for Periodic Crystals
Instability	Active nematics: from turbulent to steered flows Rifting of extensional flows
Insulator	Gaps and effective gaps in Floquet media
integral operators	Nonlinearities in nonlocal models
integral representation	THE VARIATIONAL ENCODING OF HIERARCHIES OF STRUCTURED DEFORMATIONS Relaxation and representation for energies arising from Mechanics problems
integral representation formula	Integral representation of fluid permeability
Inter-segment interaction	Statistical field theory model for Liquid Crystal Elastomers
Interacting particle system	Convergence rates of interacting particle systems in the many-particle limit
Interacting particle systems	On Synchronized Fleming-Viot Particle Systems
interacting particles	On stochastic mirror descent with interacting particles: convergence properties and variance reduction
interacting systems	Large Deviations for Fermions at Equilibrium - An Approach to Macroscopic Behavior at Nanoscales
interatomic potential	Data driven multiscale interatomic potentials and the problem of extrapolation
interatomic potentials	Mathematical sketches of machine-learning interatomic potentials and open problems Interatomic Potentials from First Principles
interface evolution	Pinning of interfaces in a random medium with zero mean
interface migration	Atomistic understanding of interface migration - Combining machine learning, path collective variables, and enhanced sampling
interface problems	A fractional model for anomalous diffusion with increased variability. Analysis, algorithms and applications to interface problems
interface recombination	Reaching for the radiative limits, interfaces and mobile ions in perovskite cells
interfaces	Relaxation and representation for energies arising from Mechanics problems
interfacial energies	Emergence of rigid Polycrystals from atomistic Systems with Heitmann-Radin sticky disk energy
interfacial flow	A phase-field model for computing elasto-capillary flows of liquid crystals
interfacial instabilities	Nonlinear waves in multi-fluid shear flows
interpolation polynomial	Convergence from Atomistic Model to Peierls-Nabarro Model for Dislocations in Bilayer System with Complex Lattice
Intracellular protein oscillations	A Bulk-Surface Coupled Model for Intracellular Oscillations
invariant measure	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
Inverse design	Inverse materials design using machine learning Intelligent in silico Material Design by Deep Learning Networks Computational Energy Materials Design in the Big Data Era
inverse DFT	A data driven approach to improved exchange-correlation functionals in DFT
inverse modeling	Learning Nonlocal Constitutive Models with Neural Networks
Inverse obstacle scattering problems	Application of non-iterative topological sensitivity based algorithms to the detection of multiple impedance obstacles
inverse problem	Approaches to the 2D Nematic Elastomers Inverse Design Problem Inverse problem for fragmentation equation Experimental Detection and Shape Reconstruction of Inclusions in Elastic Bodies via Monotonicity-Based Methods
Inverse problems	Origami with Conformal and Helical Symmetry
inverse scattering	Limiting boundary correctors for periodic microstructures and inverse homogenization series
invertibility	Invertibility properties of limits of Sobolev homeomorphisms
Ionic crystals	Theta functions, ionic crystal energies and optimal lattices
ionic transport	Modeling slow bias and light step-response in perovskite solar cells exhibiting negligible hysteresis
ionic-electronic conductors	Modelling perovskite solar cells: from drift diffusion to an equivalent circuit
Irreversibility	Cohesive fracture in 1D: quasi-static evolution and derivation from phase-field models
Irreversible	Efficient calculation of nonequilibrium steady states by stratification
Ising model	Instability, frustration, and phase transitions in membranes with dilation arrays
island nucleation	Microscopical Justification of Solid-State Wetting and Dewetting
isometric classification	An isometry classification of periodic point sets
Isometric mappings	Piecewise isometric origami
Isometry	Visualisation of large crystal datasets by using TreeMaps and isometry invariants
isometry classification	Introduction to Periodic Geometry for applications in Crystallography and Materials Discovery
Isometry groups	Objective structures: a principle for the design of metamaterials, light waves and origami
isometry invariance	A Topological Fingerprint for Periodic Crystals
isometry invariants	The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets
K
k-fold persistence	A Topological Fingerprint for Periodic Crystals
Kalman filtering	The effect of elasticity and stochastic disturbances on the spatial localization of optimal controllers and estimators
KART	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
kinematics	Pseudo-triangulations for 2D auxetic designs
kinetic activation-relaxation technique	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
kinetic monte carlo	Statistical Learning of Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Oscillatory decrease with size in diffusivity of {100}-epitaxially supported 3D fcc metal nanoclusters
kinetics	A general kinetic phase field model for ferroelectric ceramics A Comparison of Phase-Field and Peridynamic Models of Microstructure Evolution with Inertia
Kirigami	Kirigami-inspired Multistable Structures Designing and modeling origami and kirigami structures On the local mechanics of Kirigami
klein bottle	Symmetry Groups of Tilings on a Klein Bottle
knitting	Twisted topological tangles or: the knot theory of knitting
knot theory	Twisted topological tangles or: the knot theory of knitting
Kohn-Sham Density Functional Theory	Towards efficient computation for ground state calculation in density functional theory Treecode-Accelerated Green Iteration for Kohn-Sham Density Functional Theory
Kohn-Sham equations	New optimal control problems in density functional theory motivated by photovoltaics
Korn	Korn inequalities in GSBD and applications
Korn's inequality for shells	Revisiting the buckling of cylindrical shells under axial compression
Kossel diagram	Exotic defect structures of a chiral liquid crystal sandwiched by two parallel substrates and their optical properties
Kunneth formula	Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes
Kwinks	Towards modelling of (20-1) plastic twinning in Ni-Ti martensite
L
Lagrangian methods	Variational Lagrangian schemes to generalized diffusions, gradient flows and beyond: A discrete energetic variational approach
Laminate	Anomalous energy transport in laminates with exceptional points
LAMMPS	Relative Resolution: A Computationally Efficient Implementation in LAMMPS
Landau-de Gennes	A structure-preserving finite element method for uniaxial nematic liquid crystals Landau-de Gennes corrections to the Oseen-Frank theory of nematic liquid crystals Landau-de Gennes effective free energies for nematic colloids
Landau-de Gennes energy	Nematic Liquid Crystal Defects for Landau-de Gennes Energy Minimizers in Three Dimensions
Landau-de Gennes model	Construction of Solution Landscape of Nematic Liquid Crystals
Landau-de Gennes theory	Exotic defect structures of a chiral liquid crystal sandwiched by two parallel substrates and their optical properties
Landau-deGennes functionals	A variational model for smectics in SBV
Landau-Lifshitz equation	Geometry of skyrmion dynamics
Landau-Lifshitz-Gilbert equation	Numerical approximation of the inertial Landau-Lifshitz-Gilbert equation
Landau–de Gennes model
Langevin dynamics	Path probability ratios for Langevin dynamics – exact and approximate
Langevin equation	Sampling conditioned trajectories using Langevin bridges Convergence to equilibrium in underdamped Langevin dynamics: fluctuation-dissipation relations, entropy production and optimal control Modeling transient dynamics of coarse-grained molecular systems
Langevin process	Langevin processes in bounded-in-position domains: application to quasi-stationary distributions
large deformations	Modelling, Analysis and Computation of Cell-Induced Phase Transitions in Fibrous Biomaterials
Large deviations	Large Deviations for Coagulation including the Gel
large time asymptotic behavior	Evolution of grain boundaries with dynamic lattice orientations and triple junction drag
Large-domain limit	A non-local model of nematic liquid crystals: regularity and convergence in the large-domain limit
Lattice	Visualisation of large crystal datasets by using TreeMaps and isometry invariants Compatibility conditions in dense lattices Stress minimization with lattice structures
lattice defects	Hydrogen storage in Pd nanoparticles
lattice kinetic Monte Carlo	Multilevel kinetic Monte Carlo simulations for charge transport
lattice misorientation	Evolution of grain boundaries with dynamic lattice orientations and triple junction drag
Lattices	A continuous, complete, isometry classification of crystals The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets
Law of Mass Action	Generalized law of mass action (LMA) with energetic variational approaches (EnVarA) and applications
layered media	Aspects of the spectrum of multi-layer graphene-type graph operators
lead-halide perovskites	Modelling perovskite solar cells: from drift diffusion to an equivalent circuit
Lennard-Jones	Relative Resolution: A Computationally Efficient Implementation in LAMMPS
Lennard-Jones interaction	Generalized Poisson-Nernst-Planck Models with Finite Size Effects
Level set formulation	Stability results for nonlocal geometric evolutions
Level-set method	Mathematical modeling of biodegradation of metallic biomaterials using reaction-diffusion-convection equations and level set method
Levinson's theorem	Topological indices for shallow-water waves.
Li ion diffusion	Multilevel kinetic Monte Carlo simulations for charge transport
Light propagation in liquid crystals	Spectral modeling of light propagation in twist cells
light-matter interaction	A Ginzburg-Landau model for the light-matter interaction in nematic liquid crystals
likelihood ratio method	Likelihood ratio methods for estimating linear response of non-equilibrium steady states.
Limited aperture	Application of non-iterative topological sensitivity based algorithms to the detection of multiple impedance obstacles
limits of Sobolev homeomorphisms	Invertibility properties of limits of Sobolev homeomorphisms
Linear elasticity	Experimental Detection and Shape Reconstruction of Inclusions in Elastic Bodies via Monotonicity-Based Methods Recent results on the variational theory of linearized elasticity
linear response	Likelihood ratio methods for estimating linear response of non-equilibrium steady states.
linear response optimization	Inverse Design of Passive and Active Metamaterials
linear stability	Robust Stability of Multicomponent Membranes: the role of Cholesterol
Linearised elasticity	Derivation of linear elasticity from atomistic energies with multiple wells
linkage	Design of hinged 3D auxetic mechanisms
lipid membranes	Multiscale Simulations of Biomembrane Interactions with Small Molecules and Nanoparticles
liquid crystal	Ion-dependent DNA Configuration in Bacteriophage Capsids Ion-dependent DNA Configuration in Bacteriophage Capsids Defect formation, and removal, in liquid crystal devices Liquid crystals on deformable surfaces Construction of Solution Landscape of Nematic Liquid Crystals
Liquid crystal defects	Inside the light boojums: a journey to the land of boundary defects
liquid crystal elastomers	Gaussian morphing of Liquid Crystal Elastomer sheets and related systems Statistical field theory model for Liquid Crystal Elastomers
Liquid crystal films	Theory and simulation of liquid crystal sandwiches
liquid crystal flows	Transport of (and in) biological liquid crystals Weak compactness of two-dimensional liquid crystal and magnetic flows
liquid crystal networks	2D soft robotic functions formed in liquid crystal polymer network
liquid crystal shape equations	Egg Carton Surfaces in Cholesteric Liquid Crystals: Geometry of Biaxial Wrinkling Waves
Liquid crystals	Data Analysis in Soft Matter and Molecular Simulations using Topology and Random Field Theory Shape optimization problems in Liquid Crystals Dimensional Reduction for the SmA Ferroelectric Phase in Bent-Core Liquid Crystals Contact geometry and the structure and elasticity of chiral materials Tying molecular knots in liquid crystals Sharp-interface limits in the dynamics of phase transitions: from the Allen-Cahn equation to liquid crystals Is there a place for Mesh Free modelling of liquid crystals? Constrained Energy Minimization for Bent-Core Liquid Crystals A structure-preserving finite element method for uniaxial nematic liquid crystals Landau-de Gennes corrections to the Oseen-Frank theory of nematic liquid crystals Spectral modeling of light propagation in twist cells Rugosity effects in liquid crystals Collisions of monopoles and disclinations in nematics 3D smectics: a sharp lower bound and connection to Aviles-Giga Geometric Frustration and the Intrinsic Approach to Material Three-dimensional solitons in flexoelectric nematic liquid crystals Hydrodynamic cavitation in Stokes flow of anisotropic fluids Axisymmetry of critical points of the Onsager functional for liquid crystals A Ginzburg-Landau model for the light-matter interaction in nematic liquid crystals
liquid drop model	Minimality of polygons in a nonlocal anisotropic isoperimetric problem Liquid drop model with density perimeter
liquid films	A (truly) new wrinkle on liquid sheets
liquid secretion	2D soft robotic functions formed in liquid crystal polymer network
lithium-silicon	Data driven multiscale interatomic potentials and the problem of extrapolation
Liusternik-Schnirelman	LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT
living materials	Hydraulic fracture of cells and tissues
LLZO	Screening Energetically Stable Structures of LLZO garnets for Lithium-Ion Battery Applications with a Reduced Discrete Optimization Model
load	Statics, pre-stress stability and second-order rigidity of rigid origami
LOBPCG method	A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
Local Boundary Condition	Implementation of Local Boundary Conditions in Nonlocal Wave Propagation
local chemical selectivities	Sharp-interface modeling and numerical simulation of mass transfer at rising bubbles
local limit	Regularity for non-uniformly elliptic equations and applications to the random conductance model
Local rotation	Mechanical and auxetic properties of polyhedral units with sharing edges
local yield stress	Calculating the Local Yield Surface in 3D Model Glasses
Local Yield Stress (LYS) method	Predicting Plasticity in 2D Model Metallic Glasses Using the Local Yield Stress and Diffusion Maps
localisation	Non-linear 1D models for slender structures
Localization-topology correspondence	The localization-topology correspondence via projected position operators
Long time ageing of steels	Trying to model long time ageing using AKMC: the need to turn to mixed/hybrid methods
long time behaviour	Asymptotic localization in multicomponent coagulation equations
Long time integration	Parareal algorithms for molecular dynamics simulations
Long timescale simulations	Temperature Programmed Molecular Dynamics - Accessing rare events using a combination of finite time sampling and bias potentials
Long-range elastic interaction	Dynamics of Grain Boundaries Based on Underlying Microstructures
long-range interactions	An equivariant representation to learn long-distance interactions
long-time behavior	Mathematical analysis of the prion equation
long-time behaviour	The scaling hypothesis for Smoluchowski's coagulation equation: perturbations of the constant kernel The Adaptive Biasing Force algorithm with non-conservative forces
Long-time existence	On the elastic flow of networks
longitudinal wave	Rolling Waves with Non-Paraxial Phonon Spins
longtime behavior	Oscillatory behavior of bubbleator dynamics
Low angle grain boundaries	Finding grain boundary energy by constrained minimization
low-rank approximation	Sparse Quantum Gaussian Processes
Lower semicontinuity	LOWER SEMICONTINUITY FOR FUNCTIONALS DEFINED ON PIECEWISE RIGID FUNCTIONS AND ON GSBD Borderline existence problems for nematic elastomers and neoHookean materials
LSW equations	On the Global Asymptotic Stability for the LSW Model With Subcritical Initial Data
M
machine learning	New roles for data science in materials science Data driven multiscale interatomic potentials and the problem of extrapolation Reinforcement Learning Configuration Interaction Computational topology meets material science Data-driven learning of nonlocal physics from high-fidelity synthetic data Data-driven learning of nonlocal models:from high-fidelity simulations to constitutive laws Shape and Pattern in Biological System – Classifying Aortic Geometry from Clinical Data Atomistic understanding of interface migration - Combining machine learning, path collective variables, and enhanced sampling Inverse materials design using machine learning Predicting complex dislocation dynamics using machine learning Integrated machine learning models for atomic and molecular simulations Machine Learning based Collective Variable Discovery in Molecular Dynamics Machine learning configuration interaction: Developments and Applications Glass-box machine learning to find descriptors of materials Optimizing Fractional Compositions Through Gradient Ascent How can Machine Learning Aid Computational Chemistry in Data Generation Computational Energy Materials Design in the Big Data Era Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields An equivariant representation to learn long-distance interactions Computational exploration of energy storage materials using theoretical chemistry and machine learning Interatomic Potentials from First Principles Interpretable Classification of Nanocrystals using Unsupervised and Supervised Learning Physics-based machine learning for multiscale computer simulations Machine learning with persistent homology and chemical word embeddings improves predictive accuracy and interpretability in metal-organic frameworks Digital Fingerprinting Materials Microstructure Thermodynamic parameterization of neural networks Comprehensive Characterization and Modelling of Perovskite Solar Cells Can (almost) unsupervised machine learning learn chemistry and physics from atomically-resolved imaging data? Atom Sequencing for Disordered Materials Calculating the Local Yield Surface in 3D Model Glasses Atomistic-informed calibration of partial differential equations for material applications via machine learning
machine learning for flux estimation	Sharp-interface modeling and numerical simulation of mass transfer at rising bubbles
machine learning methods	Hierarchical Coarse-Graining: Physics-based or Data-driven Models?
machine learning potential	Predicting material properties with the help of machine learning
Machine learning potentials	Physically-Motivated Requirements of Machine Learning Potentials
machine-learning potentials	Mathematical sketches of machine-learning interatomic potentials and open problems
machinelearning	Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective
macroscopic diffusion equations	Transport in rotor chains
Macroscopic fluctuations theory	Instability, Rupture and Fluctuations in Thin Liquid Films: Theory and Computations
magnetic dynamics	Geometry of skyrmion dynamics
magnetic fluids	Global existence of weak solutions to a diffuse interface model for magnetic fluids
magnetic particles	Homogenization of a non-dilute suspension of a viscous fluid with magnetic particles
magnetic skyrmions	Ferromagnetic and synthetic antiferromagnetic skyrmions in magnetic multilayers: 3D textures and investigations of the Dzyaloshinskii-Moriya interaction A unified divergent approach to Hardy-Poincaré Inequalities
Magnetic symmetry
magnetic symmetry and structures	Online Materials Studies by the Bilbao Crystallographic Server
magnetic thin films	Weak compactness of two-dimensional liquid crystal and magnetic flows
Magnetism in curved thin films	A unified divergent approach to Hardy-Poincaré Inequalities
magnetohydrodynamics	Blow-up of dyadic models for the magnetohydrodynamics
magnetostatic interaction	Gamma convergence for zigzag transition layers in thin film ferromagnetics
Magnetostriction	Micromagnetics of Cubic Ferromagnets with Large Magnetostriction
Maier-Saupe interaction	Axisymmetry of critical points of the Onsager functional for liquid crystals
Maier-Saupe Potential	Numerical Method for Nematic Liquid Crystals with the Maier-Saupe Potential
Maier-Saupe theory	A non-local model of nematic liquid crystals: regularity and convergence in the large-domain limit
Malthus exponent	Probabilistic views on growth-fragmentation equations
manifold learning	Data Assimilation and Mixed-Variable Metamodeling with Latent Map Gaussian Processes
Manufacturing	Experimental Determination of Auxeticity in Periodic Structures
many particle systems	Tensor numerical modeling of the collective electrostatic potentials of many-particle systems
many-body localization	A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
many-body perturbation theory	Stochastic approaches to many-body perturbation theory
many-body theory	Excitations in complex materials: accuracy, precision, feasibility
Many-particle limit	Convergence rates of interacting particle systems in the many-particle limit
mapper algorithm	Computational topology meets material science
Markov chain Monte Carlo	Generalizing parallel replica dynamics: trajectory fragments, asynchronous computing, and PDMPs A splitting method to reduce MCMC variance Coupling Methods for Hamiltonian Monte Carlo
Markov process	Probabilistic views on growth-fragmentation equations
Markov processes	A probabilistic view on the long-time behaviour of growth-fragmentation equations with bounded fragmentation rates
Markov semigroup	Spectral gap for the growth-fragmentation equation via Harris's Theorem
Markov state model	Exploiting history information to analyze molecular dynamics simulations
Markov state models	Automated identification of collective variables and metastable states from molecular dynamics data
martensitic phase transformation	On variational models for the geometry of martensite needles
Masks	Mechanics of Masks
mass localization	Asymptotic localization in multicomponent coagulation equations
Mass operator	A Novel Hybrid Monte Carlo Algorithm for Sampling Path Spaces
Mass scattering versus interface scattering	Forward Propagation of Uncertainty in Non-local Cahn-Hilliard model with a physical potential
massively parallel sampling	Automated discovery and analytic calculation of defect diffusion with quantified uncertainty
Master equation	Regularity theory for nonlocal space-time master equations
matched asymptotic analysis	Localized patterns and narrow escape problems in more general geometries
material optimization	First-principles calculations for compositional prediction of phase-change materials
material stability	Constraints imposed by material stability for an anisotropic peridynamic model
materials design	Inverse materials design using machine learning
materials discovery	Optimizing Fractional Compositions Through Gradient Ascent
materials modeling	Multiscale Modelling of Structure and Heat Transport in 2D Materials Multiscale Modeling of Molecular and Nano-Materials: Towards Stronger Coupling of Quantum and Continuum Scales Van der Waals Interactions in Materials Modelling
materials science	New roles for data science in materials science Computational exploration of energy storage materials using theoretical chemistry and machine learning Gamma convergence for zigzag transition layers in thin film ferromagnetics An invitation to quantitative stochastic homogenization
materials simulations	The effect of additive manufacturing processing on microstructure entropy and morphology
materials stability	Glass-box machine learning to find descriptors of materials
mathematical analysis	Top signs to consider nonlocal modeling
mathematical modeling	Analytical validation of variational models for epitaxially strained thin films
mathematical quantum chemistry	Analysis of self-consistent field and direct minimization algorithms for electronic structure
matrix product states	Entanglement and tensor truncations in matrix product state simulations
matrix-free eigensolver	A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
maximum principle	The shape of a surface under the effect of the gravity
Maxwell equation	On Abstract Friedrichs Systems and their Use in Complex Media.
Maxwell Equations	Nonreciprocal optical behavior in high-loss magnetic-dielectric photonic crystals
Maxwell stresses	The Effect of Electric Torques on the Homogenized Response of Dielectric Elastomer Composites at Finite Strains
Maxwell's equations	On an interior Calderon operator and a related Steklov eigenproblem for Maxwell's equations
MCMC	Forward Propagation of Uncertainty in Non-local Cahn-Hilliard model with a physical potential
Mean curvature flow	On anisotropic curvature flow of networks Evolution of grain boundaries De Giorgi's inequality for the thresholding scheme with arbitrary mobilities and surface tensions Qualitative behavior of phase transitions in heterogeneous media
Mean-field models	Numerical methods for open-shell electronic systems
Mechanical Biology	Does soft matter matter to brain matter? The curious case of brain wrinkling.
Mechanical metamaterials	non-Hermitian mechanics Mechanical and auxetic properties of polyhedral units with sharing edges Auxeticity and transformable topological mechanical metamaterials
mechanical response	Machine learning models of the mechanical response of materials with complex microstructure
Mechanics	Nonlocal elastodynamics and fracture Microstructures in multilayered graphene Geometric Frustration and the Intrinsic Approach to Material A field theory for plant tropisms and axonal durotaxis
Mechanics of textiles	Mechanics of Masks
mechanisms	Flexibility at critical points in origami and mechanisms
Mechanochemistry	Generalized law of mass action (LMA) with energetic variational approaches (EnVarA) and applications
median analysis	A Nitsche type multiscale method with non-matching grids
membranes	Instability, frustration, and phase transitions in membranes with dilation arrays
mesh quality	Shape Optimization with Nearly Conformal Transformations
mesh-scale structure	Wrinkles in elastic sheets and defect-proliferated patterns in liquid crystalline phases
meshfree method	Meshfree methods for problems with variable-order fractional Laplacian
meshfree methods	Convergence studies in meshfree peridynamic wave and crack propagation
meshing and re-meshing manifolds	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
mesoscale	Mesoscale modelling of dislocation dynamics and plastic flow
meta-materials	Stochastic homogenization of high-contrast media
metallic glasses	Calculating the Local Yield Surface in 3D Model Glasses Atomistic-informed calibration of partial differential equations for material applications via machine learning
metallic nanoclusters	Shape Fluctuation of Metallic Nanoclusters: Observations from Long­ Timescale Simulations
metallic nanocrystals	Reshaping of fcc metal nanocubes and octahedra: atomistic and coarse-grained modeling
metallic nanoparticles	Born to be different: modelling formation of metallic nanoparticles and their consequences
metamaterial	Experimental Determination of Auxeticity in Periodic Structures Anomalous energy transport in laminates with exceptional points Superdimensional metamaterial resonators Tailoring the effective Hall matrix by 3D metamaterials
Metamaterials	New Frontiers in Nonreciprocity: Broadband Nonreciprocal Effects, Giant Nonlinear Processes, and Drift-Biased Nonreciprocal Media The electromomentum coupling in generalized Willis media Forward and inverse homogenization for quasiperiodic composites On Abstract Friedrichs Systems and their Use in Complex Media. Effective wave transmission at an interface between metamaterials.
Metastability	Long time dynamics in a massively parallel world Central Limit Theorem for stationary Fleming-Viot particle systems in finite spaces Langevin processes in bounded-in-position domains: application to quasi-stationary distributions Foundation of first order kinetics: the quasi stationary distribution approach.
Metric	Shape programming using lines of concentrated Gaussian curvature
metric continuity	Introduction to Periodic Geometry for applications in Crystallography and Materials Discovery
Metric function	Comparing Local Atomic Environments by the Gromov-Wasserstein Distance
Metric gradient flows	Derivation of von Kármán plate theory in the framework of three-dimensional viscoelasticity
Meyer-Neldel rule	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
microcavity	Dirac-vortex topological cavity and fiber
microfluidics	Dielectrophoretic modeling of cell sorting microfluidic platforms Flow-induced states and transitions in pressure-driven nematic fluids Microfluidic flow of colloid-liquid crystal composite materials
Micromagnetics	Skyrmions and stability of degree 1 harmonic maps from the plane to the two-dimensional sphere Micromagnetics of Cubic Ferromagnets with Large Magnetostriction Numerical approximation of the inertial Landau-Lifshitz-Gilbert equation Removing hysteresis from magnetic materials
micromagnetism	Unraveling the role of long range dipolar interactions in the stabilisation of compact magnetic skyrmions
microphase separation	Metamorphosis of polymer nanoparticles
microscopical justification	Analytical validation of variational models for epitaxially strained thin films
microscopy	Reinforcement learning and machine learning for characterization and design of matter at the atomic scale
microstructure	New roles for data science in materials science Computational and Data-Driven Multi-Scale Design of Materials under Uncertainty: Current and Future Challenges Asymptotic self-similarity in a model of shape-memory alloys Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective Low volume fraction microstructures in shape-memory alloys On variational models for the geometry of martensite needles Entropy decay in grain growth A general kinetic phase field model for ferroelectric ceramics
microstructure characterization	The effect of additive manufacturing processing on microstructure entropy and morphology
Microstructure Fingerprinting	Digital Fingerprinting Materials Microstructure
Microstructure formation	Energy minimizing twisting twin patterns in nonlinear elasticity
Microstructure modeling	Forward Propagation of Uncertainty in Non-local Cahn-Hilliard model with a physical potential
Microstructure reconstruction	Uncertainty Quantification of Microstructures using Shape Moment Invariants
Microstructure Topology	Moment Invariants as Microstructure Topology Descriptors
microstructures	Nucleation and growth of lattice crystals
microswimmer	Dynamics of a squirmer in confined nematic liquid crystals
Microtubules	Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
Microtubules with Kinesin	Active nematics: from turbulent to steered flows
mimetic methods	Mimetic methods for neural networks
mini-batching	Removing the mini-batching error in Bayesian inference using Adaptive Langevin dynamics
minimal 2-surface	Liquid crystals on deformable surfaces
Minimal energy configurations	Effective theories and energy minimizing configurations for heterogeneous multilayers
minimal surface	Exact minimal parking garages: Optimal packing of biological membranes with helical motifs requires pitch balance
minimization of non-convex functionals	Separately Global Solutions to Rate-Independent Systems - Applications to Large-Strain Deformations of Damageable Solids
minimization problems	Constrained Energy Minimization for Bent-Core Liquid Crystals
minimizations	Minimizers for the Cahn--Hilliard Energy Functional under Strong Anchoring Conditions
minimizer	A unified model for stress-driven rearrangement instabilities A Ginzburg-Landau model for the light-matter interaction in nematic liquid crystals
minimizers	Landau-de Gennes corrections to the Oseen-Frank theory of nematic liquid crystals
minimizing move scheme	Analysis on the gradient flow system for the triblock copolymers
minimizing movements	Nucleation and growth of lattice crystals
Minimum Spanning Tree	Visualisation of large crystal datasets by using TreeMaps and isometry invariants
Minkowski theorem	Discrete isoperimetric inequalities in periodic graphs and semidiscrete Optimal Transport
Miura-ori	Origami with Conformal and Helical Symmetry Flexible quad-surfaces: beyond Miura-ori
mixed finite elements	Mixed finite-element methods for smectic A liquid crystals
mixed frameworks	Polytypic and symmetry relations between Na2Mn3(SO4)4 polymorphs
mixed-variable optimization	Data Assimilation and Mixed-Variable Metamodeling with Latent Map Gaussian Processes
Mixing Times	Coupling Methods for Hamiltonian Monte Carlo
modulated structures	Exploiting superspace symmetry for characterizing modulation functions with first-principles calculations
moire	Twisted Trilayer Graphene: a Precisely Tunable Platform for Correlated Electrons
moire patterns	Modeling the Mechanics of 2D Materials
molecular dynamics	Long time dynamics in a massively parallel world Statistical Learning of Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Reinforcement learning and machine learning for characterization and design of matter at the atomic scale Coarse-Grained Peridynamic Model for Graphene Comparing Local Atomic Environments by the Gromov-Wasserstein Distance Multiscale Modelling of Structure and Heat Transport in 2D Materials Hierarchical Coarse-Graining: Physics-based or Data-driven Models? Multiscale Simulations of Biomembrane Interactions with Small Molecules and Nanoparticles Integrated machine learning models for atomic and molecular simulations Eyring-Kramers law for overdamped Langevin process Computational exploration of energy storage materials using theoretical chemistry and machine learning Path probability ratios for Langevin dynamics – exact and approximate Local and global perspectives on diffusion maps in the analysis of molecular systems The Adaptive Biasing Force algorithm with non-conservative forces A Monte Carlo method to sample a Stratification Convergence to equilibrium in underdamped Langevin dynamics: fluctuation-dissipation relations, entropy production and optimal control Modeling transient dynamics of coarse-grained molecular systems
Molecular dynamics simulation	Parareal algorithms for molecular dynamics simulations
molecular dynamics simulations	Automated identification of collective variables and metastable states from molecular dynamics data
molecular knots	Tying molecular knots in liquid crystals
molecular simulation	Development of Nanoporous Materials Using Computational Modeling combined with Topological Data Analysis
molecule generation	NMR-TS: de novo molecule identification from NMR spectra
Moment Invariants	Uncertainty Quantification of Microstructures using Shape Moment Invariants Moment Invariants as Microstructure Topology Descriptors
Monge-Ampere equation	Kirchhoff plate theory for periodic prestrained sheets
Monge-Ampère equation	Energy scaling for a conically constrained sector
monolithic multigrid	Mixed finite-element methods for smectic A liquid crystals
monopole	Collisions of monopoles and disclinations in nematics
monotonicity-based methods	Experimental Detection and Shape Reconstruction of Inclusions in Elastic Bodies via Monotonicity-Based Methods
Monte Carlo	Fast Randomized Iteration for Ground- and Excited-State Full Configuration Interaction A Monte Carlo method to sample a Stratification
Monte Carlo methods	Approximating the fluctuations in random heterogeneous problems
Monte Carlo simulations	Theory and simulation of liquid crystal sandwiches
morphing of surfaces	Gaussian morphing of shape-shifting bio-inspired surfaces
morphing structures	A Method of Designing a Prescribed Energy Landscape for Morphing Structures
Morphoelasticity	Does soft matter matter to brain matter? The curious case of brain wrinkling.
Morse Theory	LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT
Moving contact line	2D Stokes Problem With a Moving Contact Line
Moving Griffith cracks	Interaction of two moving interfacial Griffith cracks between two dissimilar functionally graded piezoelectric layers subject to electro-mechanical loading
MPS	Tensor network state methods for electronic structure calculations
MsFEM	New proofs for some old MsFEM methods
multi-fluid flows	Nonlinear waves in multi-fluid shear flows
Multi-frequency	Application of non-iterative topological sensitivity based algorithms to the detection of multiple impedance obstacles
multi-particle collision dynamics	Dynamics of a squirmer in confined nematic liquid crystals
Multi-phase mean curvature flow	Weak-strong uniqueness and stability of evolutions for multi-phase mean curvature flow
multi-scale analysis	Some mathematical aspects of geophysical fluid dynamics Nonlinear Multipole Expansion of a Crystalline Defect
Multi-scale approach	Multi-scale Homogenization of Hierarchical Viscoelastic Composites
Multi-Scale Modeling	Computational and Data-Driven Multi-Scale Design of Materials under Uncertainty: Current and Future Challenges
multi-scale variational problems	Quasi-crystalline homogenization of integral energies subjected to differential constraints
multicomponent coagulation	Asymptotic localization in multicomponent coagulation equations
multicomponent systems	Stationary non-equilibrium solutions for coagulation equations
multifold persistence fingerprint	A Topological Fingerprint for Periodic Crystals
multigrids	A robust and efficient adaptive multigrid solver for the optimal control of geometric surface evolution laws with applications to cell migration
Multilevel stochastic simulation	Multilevel kinetic Monte Carlo simulations for charge transport
Multimarginal optimal transport	Approximation of optimal transport problem by moment constraints and application to DFT
multiple scattering theory	Numerical Analysis of the Multiple Scattering Method for Quantum Eigenvalue Problems
Multipole Approximation	Relative Resolution: A Computationally Efficient Implementation in LAMMPS
multipole expansion	Optimal artificial boundary conditions for three dimensional elliptic random media
multiscale	Data driven multiscale interatomic potentials and the problem of extrapolation
Multiscale analysis	The effect of additive manufacturing processing on microstructure entropy and morphology Bifurcation & Competitive Evolution of Network Morphologies in the Functionalized Cahn-Hilliard Eqaution
Multiscale and Multiphysics Problems	AI-aided, incremental numerical approach for finite strain poroelasticity: On the brain tissue deformation
multiscale coupling	Adaptive QM/MM method for crystalline defects
Multiscale material modeling	Data-Driven Physics Discovery
multiscale method	A priori error analysis of a numerical stochastic homogenization method
Multiscale model	Multiscle modeling of grain boundaries based on Peierls Nabarro description
multiscale modeling	Physics-aware, deep, probabilistic coarse-grained models with guaranteed stability Bottom-up coarse-graining of polymers using local density potentials Multiscale Modelling of Structure and Heat Transport in 2D Materials A stochastic algorithm for Born-Oppenheimer Molecular dynamics Multiscale Invariants of Floquet Topological Insulators Multiscale Modeling of Molecular and Nano-Materials: Towards Stronger Coupling of Quantum and Continuum Scales Physics-based machine learning for multiscale computer simulations Atomistic-informed calibration of partial differential equations for material applications via machine learning
multiscale modelling	Multiscale modelling of dislocation patterning Multiscale mechanics and recrystallization of glacier ice Hybrid modelling for the stochastic simulation of multi-scale chemical kinetics
Multiscale models	Multiscale and machine learning based models for studying properties of microtubules in cellular domains, subject to the influence of coupled fields
Multiscale PDE	A Nitsche type multiscale method with non-matching grids
Multiscale Simulations	Relative Resolution: A Computationally Efficient Implementation in LAMMPS
multiscale system	Grain Structure, Grain Growth and Evolution of the Grain Boundary Network
multistability	Kirigami-inspired Multistable Structures
Multiwell energies	Discrete energies with surface scaling
Mumford-Shah minimizer	On the regularity of singular sets of minimizers for the Mumford-Shah energy
N
n-alkanes	Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes
N-clock model	Does the N-clock model approximate the XY model?
nanocatalysis	Born to be different: modelling formation of metallic nanoparticles and their consequences
nanoclusters	Free-energy calculation of partially ordered clusters
nanocrystals
nanofabrication	Ferromagnetism at nanoscale
nanoindentation	Frictionless indentation of a rigid stamp into a half-space
nanomagnetism	Curvilinear Nanomagnetism
nanomaterial	Kinetics of Halide-Mediated Cu Nanowire Growth
nanoparticle	Symmetry in structural biology: from viral capsids to self-assembling nanoparticles Metamorphosis of polymer nanoparticles
nanoparticles	Multiscale Simulations of Biomembrane Interactions with Small Molecules and Nanoparticles Interpretable Classification of Nanocrystals using Unsupervised and Supervised Learning
nanoporous materials	Development of Nanoporous Materials Using Computational Modeling combined with Topological Data Analysis Machine learning with persistent homology and chemical word embeddings improves predictive accuracy and interpretability in metal-organic frameworks
nanoscale	Frictionless indentation of a rigid stamp into a half-space
narrow escape	Localized patterns and narrow escape problems in more general geometries
Navier slip	2D Stokes Problem With a Moving Contact Line
Navier slip condition	Homogenization for a Variational Problem witha Slip Boundary Condition
Navier-Stokes	Traveling wave solutions to the free boundary Navier-Stokes equations
Navier-Stokes equations	Some mathematical aspects of geophysical fluid dynamics
nearly-conformal deformations	Shape Optimization with Nearly Conformal Transformations
nearsightedness	Recycling results of models to simulate real materials: connector approach
Negative refraction	Anomalous energy transport in laminates with exceptional points
nematic	Landau-de Gennes corrections to the Oseen-Frank theory of nematic liquid crystals Collisions of monopoles and disclinations in nematics Defect formation, and removal, in liquid crystal devices
Nematic colloids	Landau-de Gennes effective free energies for nematic colloids
nematic continuum theory	The role of elasticity in a thin flowing nematic layer under electric field
Nematic Elastomers	Geometric linearization of theories for incompressible elastic materials Borderline existence problems for nematic elastomers and neoHookean materials Approaches to the 2D Nematic Elastomers Inverse Design Problem
Nematic flow	Flow-induced states and transitions in pressure-driven nematic fluids
nematic liquid crystal	The role of elasticity in a thin flowing nematic layer under electric field Solution landscape of a reduced Landau–de Gennes model on a hexagon Free surface dynamics of nematic liquid crystal films: dewetting and dielectrowetting Microfluidic flow of colloid-liquid crystal composite materials A phase-field model for computing elasto-capillary flows of liquid crystals Multiplicity of solutions and wetting transitions for nematic liquid crystal ridges
nematic liquid crystals	Cubic microlattices embedded in nematic liquid crystals - a Landau-De Gennes study Ring defect in a nematic liquid crystal Nonlinear Multilevel Methods for Frank-Oseen Liquid Crystal Models A Moving Mesh Finite Element Method for Modelling Defects in Liquid Crystals A non-local model of nematic liquid crystals: regularity and convergence in the large-domain limit Defects in thin nematic liquid-crystalline films Nematic Liquid Crystal Defects for Landau-de Gennes Energy Minimizers in Three Dimensions A Model Liquid Crystal Cell in an RC Circuit Dynamics of a squirmer in confined nematic liquid crystals Numerical Method for Nematic Liquid Crystals with the Maier-Saupe Potential
nematodynamics	Dynamics of a squirmer in confined nematic liquid crystals
NeoHookean materials	Borderline existence problems for nematic elastomers and neoHookean materials
network	Statistical Topology of Bond Networks
Network formation	Bifurcation & Competitive Evolution of Network Morphologies in the Functionalized Cahn-Hilliard Eqaution
Networks	On anisotropic curvature flow of networks Evolution of grain boundaries On the elastic flow of networks
neural network	A data driven approach to improved exchange-correlation functionals in DFT
Neural Network Weight-Sharing	Weight-Sharing Across Nuclear Geometries Can Improve Optimization in Deep Learning-Based Variational Monte Carlo
neural networks	Mimetic methods for neural networks Machine learning models of the mechanical response of materials with complex microstructure Thermodynamic parameterization of neural networks Approximation theoretical bounds on neural network emulation of Hartree-Fock eigenfunctions
neuralnetworks	Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective
Ni-Al alloy	Phase field model for Ni-Al alloy
Nickel-titanium	Towards modelling of (20-1) plastic twinning in Ni-Ti martensite
Nitsche variational formulation	A Nitsche type multiscale method with non-matching grids
NMR	NMR-TS: de novo molecule identification from NMR spectra
no vacuum condition	Deterministic particle approximations for nonlocal transport equations
nolinear transport equation	The initial-boundary value problem for the Lifshitz-Slyozov equation with non-smooth rates at the boundary
non hermitian phase transitions	Non reciprocal phase transitions
non periodic coefficients	New proofs for some old MsFEM methods
Non-convex potentials	External forces in the continuum limit of discrete systems with non-convex interaction potentials
non-equilibrium	Stationary non-equilibrium solutions for coagulation equations
non-equilibrium statistical mechanics	Physics-based data-driven discovery of continuum equations
Non-Euclidean elasticity	Hyperbolic Monge-Ampere equations, Lorentz surfaces and thin sheet elasticity. Asymptotic rigidity for shells in non-Euclidean elasticity
Non-Euclidean geometry	Frustrated Self-Assembly of Non-Euclidean Crystals of Nanoparticles
Non-Hermitian physics	Anomalous energy transport in laminates with exceptional points
non-Hermitian topological systems	Topologically protected edge modes in non-Hermitian subwavelength resonator structures
Non-Hermitian waveguides	Topological Pumping in electromechanical waveguides and future opportunities on non-Hermitian waveguides with feedback interactions
non-Hermiticity	non-Hermitian mechanics
non-interpenetration	A derivation of Griffith functionals from discrete finite-difference models
Non-isometric origami	Shape programming using lines of concentrated Gaussian curvature Joining metric-compatible actuated shapes at creases with Gaussian curvature
Non-isothermal Cahn-Hilliard equation	On a non-isothermal Cahn-Hilliard model based on a microforce balance
non-linear elasticity	A one-dimensional model for elastic ribbons covering a broad range of thickness-to-width ratios On the local mechanics of Kirigami
Non-local Cahn-Hilliard model	Forward Propagation of Uncertainty in Non-local Cahn-Hilliard model with a physical potential
non-local models	Variational and phase-field models of brittle fracture.
Non-Newtonian fluids	Rifting of extensional flows
non-normal operators	Non reciprocal phase transitions
non-reciprocity	Topological Pumping in electromechanical waveguides and future opportunities on non-Hermitian waveguides with feedback interactions non-Hermitian mechanics The effective properties of some dynamic laminates
Non-reversible diffusion processes	Non-reversible sampling schemes on submanifolds
non-standard growth conditions	Measure representation for optimal design functionals under p-q growth conditions
Non-symmetric	The Effect of Electric Torques on the Homogenized Response of Dielectric Elastomer Composites at Finite Strains
non-symmetric effective tensors	Tailoring the effective Hall matrix by 3D metamaterials
Nonequilibrium	Efficient calculation of nonequilibrium steady states by stratification
Nonlinear	The Effect of Electric Torques on the Homogenized Response of Dielectric Elastomer Composites at Finite Strains
nonlinear circuits	Inverse Design of Passive and Active Metamaterials
nonlinear diffusion	Nonlinearities in nonlocal models Automated Grain Boundary Detection in TEM images of Polycrystalline Materials
nonlinear elastcity	Representative volume element approximations for laminated nonlinearly elastic random materials
Nonlinear elasticity	Convex analysis of wrinkle patterns in confined elastic shells Energetic bounds for paperboard delamination under bending Surface growth of geometrically frustrated solids Simulation of free boundaries and interfaces in nonlinear plate bending Geometric linearization of theories for incompressible elastic materials Borderline existence problems for nematic elastomers and neoHookean materials Lower bound for the coalescence load in 2D neoHookean materials Debonding of a gel from a rigid substrate Modelling, Analysis and Computation of Cell-Induced Phase Transitions in Fibrous Biomaterials
Nonlinear Elasticity Model	Approximation of the Atomistic Model by Higher Order Continuum Model
nonlinear elliptic PDEs	Optimal convergence rates in stochastic homogenization of nonlinear uniformly elliptic PDEs
nonlinear expectation	Goal-oriented coarse-graining of multiscale diffusions with parameter uncertainties
nonlinear fluid dynamics	A (truly) new wrinkle on liquid sheets
Nonlinear Fokker–Planck Equation	The Adaptive Biasing Force algorithm with non-conservative forces
nonlinear interaction	Explicit minimizers of nonlocal interaction energies
Nonlinear Magnetization Dynamics	Highly Nonlinear Ferromagnetic Resonance in Nanomagnets Large-Scale Eigenmode Computation for Magnetization Dynamics in Micromagnetic Systems
nonlinear nonlocal models	Nonlinearities in nonlocal models
Nonlinear Optics	New Frontiers in Nonreciprocity: Broadband Nonreciprocal Effects, Giant Nonlinear Processes, and Drift-Biased Nonreciprocal Media
nonlinear partial differential equations	Inside the light boojums: a journey to the land of boundary defects Atomistic-informed calibration of partial differential equations for material applications via machine learning
Nonlinear PDE	Ring defect in a nematic liquid crystal
nonlinear waves	Nonlinear waves in multi-fluid shear flows
Nonlocal	Coarse-Grained Peridynamic Model for Graphene Equilibrium measures for nonlocal energies: The effect of anisotropy On nonlocal energies in the class of polytopes
nonlocal closure model	Learning Nonlocal Constitutive Models with Neural Networks
Nonlocal coupling methods	A study of dispersion relations for coupling nonlocal and local elasticities
nonlocal function spaces	Traces for Functions with No Differentiability
nonlocal functional	On the Global Asymptotic Stability for the LSW Model With Subcritical Initial Data
nonlocal interaction	Deterministic particle approximations for nonlocal transport equations Plasticity at different scales: from micro to macro
nonlocal interactions	Top signs to consider nonlocal modeling
nonlocal isoperimetric problem	Liquid drop model with density perimeter
Nonlocal model	Data-driven learning of nonlocal models:from high-fidelity simulations to constitutive laws Domain walls with nonlocal interaction and their renormalised energy in thin ferromagnetic films
nonlocal modeling	A machine-learning framework for peridynamic material models with physical constraints Top signs to consider nonlocal modeling
nonlocal models	Analysis of Anisotropic Nonlocal Diffusion Models: Well-posedness of Fractional Problems for Anomalous Transport Convergence of Solutions for Peridynamic Elasticity Models Asymptotically compatible reproducing kernel collocation methods for nonlocal models Data-driven learning of nonlocal physics from high-fidelity synthetic data
Nonlocal operators	Nonlocal operators on bounded and unbounded domains Nonlocal models in Elasticity
Nonlocal optimization	Symmetry breaking for local/nonlocal interaction functionals
nonlocal phase-field model	Nonlocal phase-field models permitting sharp interfaces
Nonlocal Wave Propagation	Implementation of Local Boundary Conditions in Nonlocal Wave Propagation
nonnegative solutions	Nonnegative solutions for the Functionalized Cahn-Hilliard equation with degenerate mobility
Nonreciprocity	New Frontiers in Nonreciprocity: Broadband Nonreciprocal Effects, Giant Nonlinear Processes, and Drift-Biased Nonreciprocal Media Numerical investigation of a nonreciprocal elastic wave circulator
nonuniqueness	Self-similar lifting and persistent touch-down points in the thin-film equation
Normal grain growth	Simulation of normal grain growth by the S-PFM method
Novel atomic descriptors	Physically-Motivated Requirements of Machine Learning Potentials
nucleation	Nucleation and growth of lattice crystals
nucleation theory	The initial-boundary value problem for the Lifshitz-Slyozov equation with non-smooth rates at the boundary
numerical analysis	Variational and Numerical Analysis of a Double Landau--de Gennes Model for Smectic Liquid Crystals Interatomic Potentials from First Principles
Numerical approximation	Approximating the fluctuations in random heterogeneous problems
numerical continuation	Static equilibria and bistability of creased annular sheets and strips
Numerical homogenization	Application of homogenization theory to polyurethane foam
numerical linear algebra	Fast Randomized Iteration for Ground- and Excited-State Full Configuration Interaction
Numerical Method	Approximation of optimal transport problem by moment constraints and application to DFT Numerical Method for Nematic Liquid Crystals with the Maier-Saupe Potential
Numerical methods	DNA Configurations of Bacteriophage Viruses: Energetics of Packaging and Phase Transitions
numerical solution of PDEs	How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model
numerical stochastic homogenization	A priori error analysis of a numerical stochastic homogenization method
Nye's tensor	Mesoscale modelling of dislocation dynamics and plastic flow
O
Objective structures	Objective structures: a principle for the design of metamaterials, light waves and origami
Observability	Nucleation of Fractional Operators in Material Failure: A Local Nonlocal Approach
OD-structures	Polytypic and symmetry relations between Na2Mn3(SO4)4 polymorphs
odd elasticity	Non reciprocal phase transitions
oily streaks	Bifurcation analysis of a new Q-tensor model for Smectic-A liquid crystals
online materials studies	Online Materials Studies by the Bilbao Crystallographic Server
Onsager functional	Axisymmetry of critical points of the Onsager functional for liquid crystals
Onsager principle	A macroscopic model for dynamic contact angle hysteresis
Onsager ’s variational principle	Boundary Condition for Dislocation Dynamic Simulation in BCC Crystal
Onsager-Machlup	Path probability ratios for Langevin dynamics – exact and approximate
Operator inference	Variational system identification of the partial differential equations governing microstructure evolution in materials: Inference over sparse and spatially unrelated data
Optics and electromagnetic theory	Nonreciprocal optical behavior in high-loss magnetic-dielectric photonic crystals
optimal control	New optimal control problems in density functional theory motivated by photovoltaics A robust and efficient adaptive multigrid solver for the optimal control of geometric surface evolution laws with applications to cell migration Convergence to equilibrium in underdamped Langevin dynamics: fluctuation-dissipation relations, entropy production and optimal control The effect of elasticity and stochastic disturbances on the spatial localization of optimal controllers and estimators
optimal design	The minimization of the first eigenvalue of a two-phase material for the p-Laplacian operator. Measure representation for optimal design functionals under p-q growth conditions
optimal error	Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
Optimal Lattice Quantizers	Optimal Lattice Quantizers and Best Approximation in the Wasserstein Metric
optimal partition	Asymptotic optimality of the triangular lattice for a class of optimal location problems
Optimal point configurations	Theta functions, ionic crystal energies and optimal lattices
optimal sampling	Asymptotic optimality of the triangular lattice for a class of optimal location problems
optimal scaling	Branching of twins in shape memory alloys revisited
Optimal Scaling with Constraints	A Multi-scale Model for Prediction of Particles Morphology Formation
optimal transport	Strictly-Correlated-Electrons approach in Density Functional Theory: regularization and multi-marginal Sinkhorn algorithm Discrete isoperimetric inequalities in periodic graphs and semidiscrete Optimal Transport
Optimization	Design of Composite Fiber Paths under Manufacturing Uncertainties for Improved Mechanical Performance Screening Energetically Stable Structures of LLZO garnets for Lithium-Ion Battery Applications with a Reduced Discrete Optimization Model Data-driven learning of nonlocal physics from high-fidelity synthetic data
optimization of macrostructures	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
optimization of microstructures	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
optoelectronic reciprocity	Modeling slow bias and light step-response in perovskite solar cells exhibiting negligible hysteresis
Orbital angular momentum	Objective structures: a principle for the design of metamaterials, light waves and origami
orbital optimization	The Semistochastic Heatbath Configuration Interaction method for near Full Configuration Interaction energies
Orbital Rotation	Optimal orbital selection for full configuration interaction (OptOrbFCI): Pursuing the basis set limit under a budget
order k persistence diagrams	A Topological Fingerprint for Periodic Crystals
organic molecules	Intelligent in silico Material Design by Deep Learning Networks
Organic photovoltaics	Continuum approach for studying morphological deformations of multiple-phase organic photovoltaic cells
origami	Piecewise isometric origami Flexibility at critical points in origami and mechanisms Objective structures: a principle for the design of metamaterials, light waves and origami Multistable inflatable origami structures at the meter-scale Designing and modeling origami and kirigami structures
orthogonal Runge-Kutta Chebyshev	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
oscillations	Oscillatory behavior of bubbleator dynamics
Oseen-Frank	Landau-de Gennes corrections to the Oseen-Frank theory of nematic liquid crystals
Oseen-Frank model	A Model Liquid Crystal Cell in an RC Circuit
Osmotic pressure	Multiscale analysis of a double porosity poroelastic medium subject to osmotic stress
Overdamped Langevin diffusion	Optimizing the diffusion of overdamped dynamics
overdamped Langevin process	Eyring-Kramers law for overdamped Langevin process
overheating	Study of the Stefan problem with internal heat generation using sharp interface models
P
p-Laplacian	The minimization of the first eigenvalue of a two-phase material for the p-Laplacian operator.
Pairwise interactions	Discrete energies with surface scaling
paperboard	Energetic bounds for paperboard delamination under bending
parabolic semigroup	Optimal artificial boundary conditions for three dimensional elliptic random media
Parabolic-elliptic PDEs	Continuum approach for studying morphological deformations of multiple-phase organic photovoltaic cells
parallel computing	Long time dynamics in a massively parallel world
parallel replica dynamics	Generalizing parallel replica dynamics: trajectory fragments, asynchronous computing, and PDMPs
Parallel Trajectory Splicing	Sub-Lattice Parallel Trajectory Splicing: Application to Adatom Migration in Tungsten
Parallel-in-time algorithms	Parareal algorithms for molecular dynamics simulations
parameter extraction	Comprehensive Characterization and Modelling of Perovskite Solar Cells
Parameter uncertainty	Sloppy models, differential geometry, and why science works
parametric resonance	Parametric excitation of wrinkles in elastic sheets on elastic and viscoelastic substrates
Parseval frame	(De)localized Wannier functions for quantum Hall systems
Partial wetting	2D Stokes Problem With a Moving Contact Line
Particle system	Central Limit Theorem for stationary Fleming-Viot particle systems in finite spaces
Particulate materials	Persistent homology on particulate media from the observed position of the particles
passage from discrete to continuous systems	Equilibrium configurations of particle systems in external potentials
Path reweighting	Path probability ratios for Langevin dynamics – exact and approximate
path space	Enhanced transition path sampling A Novel Hybrid Monte Carlo Algorithm for Sampling Path Spaces
path space force matching	Modeling transient dynamics of coarse-grained molecular systems
path-space force matching	Data-driven coarse-grained models at transient dynamics
pattern formation	Multiscale modelling of dislocation patterning Confined active matter: bacteria swimming in chromonic liquid crystals Symmetry breaking for local/nonlocal interaction functionals The many behaviors of deformable active droplets Delamination of a thin film from adhesive sphere: From multi-fold and multiply-ruck patterns to blister networks Modeling and Analysis of Patterns in Multi-Constituent Systems with Long Range Interaction Continuum approach for studying morphological deformations of multiple-phase organic photovoltaic cells Ferronematics in Confinement - Order Reconstruction, Defects and Multistability Architecting soft functional materials with instabilities Localized patterns and narrow escape problems in more general geometries
patterns	Flower Pigment Patterns
PDE constraints	Quasi-crystalline homogenization of integral energies subjected to differential constraints
PDE hierarchy	A PDE hierarchy for directed polymers in random environments
PDEs	Generalized Stress Potentials in Nonlinear Incompatible Elasticity
Peierls-Nabarro model	Convergence from Atomistic Model to Peierls-Nabarro Model for Dislocations in Bilayer System with Complex Lattice Stochastic Peierls-Nabarro Model for Dislocations in High Entropy Alloys
Peierls–Nabarro model	From Atomistic Model to the Peierls-Nabarro Model with gamma-surface for Dislocations
percolation	Stochastic homogenization on randomly perforated domains
perforated domains	Homogenization of free-discontinuity functionals in randomly perforated domains
Peridynamic	Coarse-Grained Peridynamic Model for Graphene Peridynamic solution of hyperbolic equations including Eikonal
Peridynamics	A machine-learning framework for peridynamic material models with physical constraints Convergence studies in meshfree peridynamic wave and crack propagation Investigation of Microscale Fracture Mechanisms in Glass-Ceramics using Peridynamics Simulations Constraints imposed by material stability for an anisotropic peridynamic model Implementation of Local Boundary Conditions in Nonlocal Wave Propagation
perimeter penalisation	Measure representation for optimal design functionals under p-q growth conditions
periodic framework	Geometric principles for auxetic periodic design
Periodic Graphs	Motif Graphs Provide Continuous Isometry Invariants of Periodic Point Sets
Periodic homogenization	Application of homogenization theory to polyurethane foam
periodic point set	Visualisation of large crystal datasets by using TreeMaps and isometry invariants Introduction to Periodic Geometry for applications in Crystallography and Materials Discovery
periodic point sets	An isometry classification of periodic point sets A Topological Fingerprint for Periodic Crystals
Periodic sets	A continuous, complete, isometry classification of crystals The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets
Periodic Solutions to Ordinary Differential Equations	Nonreciprocal optical behavior in high-loss magnetic-dielectric photonic crystals
Periodic Structures	Experimental Determination of Auxeticity in Periodic Structures
periodic waveguide	The slowdown of group velocity in periodic waveguides
periodicity optimization	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
perovskite cells	Reaching for the radiative limits, interfaces and mobile ions in perovskite cells
perovskite modelling	Comprehensive Characterization and Modelling of Perovskite Solar Cells
perovskite solar cells	How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model Modeling slow bias and light step-response in perovskite solar cells exhibiting negligible hysteresis Modelling charge transport in perovskite solar cells: Potential-based and limiting ion depletion
perovskites	Glass-box machine learning to find descriptors of materials An analytic model that describes the impedance response of perovskite solar cells near open-circuit
Persistent curves	Persistent homology on particulate media from the observed position of the particles
Persistent homology	Computational topology meets material science Persistent homology on particulate media from the observed position of the particles Machine learning with persistent homology and chemical word embeddings improves predictive accuracy and interpretability in metal-organic frameworks
persistent homomology	From topology of force networks to avalanche prediction in sheared particulate systems
perturbation theory	Recycling results of models to simulate real materials: connector approach
pfc	Multiscale simulations of rotating grains in APFC model
PFC equation	Numerical Comparisons of Some Semi-implicit and Fully Implicit Solvers for Functionalized Cahn-Hilliard and Phase Field Crystal Equations.
phase field	A general kinetic phase field model for ferroelectric ceramics
phase field bulk damage at large strains	Separately Global Solutions to Rate-Independent Systems - Applications to Large-Strain Deformations of Damageable Solids
phase field crystal	Multiscale simulations of rotating grains in APFC model
phase field crystal equation	Numerical Analysis of a Continuous Interior Penalty Method for the Phase Field Crystal Equation
Phase Field Methods	Simulation of normal grain growth by the S-PFM method Grain Boundary Mobilities in Polycrystals: A Challenge for Materials Modeling
phase field model	Phase field model for Ni-Al alloy A variational model for epitaxial crystal growth with adatoms Asymptotic Behaviour of Time Stepping Methods for Phase Field Models
Phase field models	New phase field approximations of the Willmore energy
phase separation	New phase field approximations of the Willmore energy Computational topology meets material science Modeling and Analysis of Patterns in Multi-Constituent Systems with Long Range Interaction
phase transformations	Atomistic understanding of interface migration - Combining machine learning, path collective variables, and enhanced sampling Exploding, weeping and reversible phase transformations in polycrystals
Phase transition	Asymptotic self-similarity in a model of shape-memory alloys Computational topology meets material science
phase transitions	Responsive materials and integrated functional devices DNA Configurations of Bacteriophage Viruses: Energetics of Packaging and Phase Transitions Qualitative behavior of phase transitions in heterogeneous media Leaky Cell Model of Hard Spheres Electro-prewetting phase transitions and pattern-formation in liquid mixtures in electric field gradients LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT Modelling, Analysis and Computation of Cell-Induced Phase Transitions in Fibrous Biomaterials Topology of the configuration space of hard disk systems
phase-change materials	First-principles calculations for compositional prediction of phase-change materials
phase-field	Comparative atomistic-continuum modeling and experimental characterization of dislocation-solute interaction in binary alloys
Phase-field approximation	Cohesive fracture in 1D: quasi-static evolution and derivation from phase-field models
phase-field crystal	Effects of Compositional Strain and Cottrell Atmospheres in Binary Systems by amplitude phase-field crystal modeling Mesoscale modelling of dislocation dynamics and plastic flow
phase-field method	A phase-field model for computing elasto-capillary flows of liquid crystals
phase-field model	SAV approach with Lagrange multipliers for gradient systems with global constraints
Phase-field modeling	Nucleation of Fractional Operators in Material Failure: A Local Nonlocal Approach A Comparison of Phase-Field and Peridynamic Models of Microstructure Evolution with Inertia
Phase-field models	Sharp-interface limits in the dynamics of phase transitions: from the Allen-Cahn equation to liquid crystals Topological defects in two-dimensional orientation-field models for grain growth
phase-fields	A robust and efficient adaptive multigrid solver for the optimal control of geometric surface evolution laws with applications to cell migration
Phased arrays	Objective structures: a principle for the design of metamaterials, light waves and origami
Phononic crystal	Anomalous energy transport in laminates with exceptional points Acoustic topological circuitry in square and rectangular phononic crystals
photoluminescence	Reaching for the radiative limits, interfaces and mobile ions in perovskite cells
photomechanical	Photostress and Photowork: characterizing the photomechanical response of materials
photonic crystal fiber	Dirac-vortex topological cavity and fiber
photostress	Photostress and Photowork: characterizing the photomechanical response of materials
photovoltaic materials	New optimal control problems in density functional theory motivated by photovoltaics
phRPA	The dissociation limit in the particle-hole random approximation
Physics constraints	Variational system identification of the partial differential equations governing microstructure evolution in materials: Inference over sparse and spatially unrelated data
physics informed ML	Data-Driven Density Functional Theory: A case for Physics Informed Learning
Physics-informed learning	fVPINNs: Variational Physics-Informed Neural Networks for Fractional Differential Equations
piecewise deterministic Markov processes	Generalizing parallel replica dynamics: trajectory fragments, asynchronous computing, and PDMPs
Piecewise rigid functions	LOWER SEMICONTINUITY FOR FUNCTIONALS DEFINED ON PIECEWISE RIGID FUNCTIONS AND ON GSBD
Piezoelectricity	The electromomentum coupling in generalized Willis media
pin-jointed bars and hinges	A Method of Designing a Prescribed Energy Landscape for Morphing Structures
pinning	Pinning of interfaces in a random medium with zero mean Nucleation and growth of lattice crystals
Pipe diffusion	Dislocation climb models from atomistic scheme to dislocation dynamics
Plane strain	Bond-based peridynamics: A tale of two Poisson's ratios
Plane stress	Bond-based peridynamics: A tale of two Poisson's ratios
plane wave method	Plane wave methods for quantum eigenvalue problems of incommensurate systems
Plasmonics	New Frontiers in Nonreciprocity: Broadband Nonreciprocal Effects, Giant Nonlinear Processes, and Drift-Biased Nonreciprocal Media
plastic deformation	Predicting complex dislocation dynamics using machine learning
Plastic twins	Towards modelling of (20-1) plastic twinning in Ni-Ti martensite
plasticity	Effects of Compositional Strain and Cottrell Atmospheres in Binary Systems by amplitude phase-field crystal modeling Multiscale modeling of plasticity in multicomponent alloys: A statistical and data science perspective THE VARIATIONAL ENCODING OF HIERARCHIES OF STRUCTURED DEFORMATIONS Calculating the Local Yield Surface in 3D Model Glasses
Plate theory	Hyperbolic Monge-Ampere equations, Lorentz surfaces and thin sheet elasticity.
Poincaré inequality	A unified divergent approach to Hardy-Poincaré Inequalities
Point cloud	Comparing Local Atomic Environments by the Gromov-Wasserstein Distance
Point Clouds	Consistency of Higher Order Derivatives on Random Point Clouds and Applications to Semisupervised Learning
point defect	Finite Temperature Cauchy-Born Rule and Stability of Crystalline Solids with Point Defects
point vortex system	Point vortex dynamics for the Euler equations
Poiseuille flow	The role of elasticity in a thin flowing nematic layer under electric field Microfluidic flow of colloid-liquid crystal composite materials
Poisson-Boltzmann Equation	On density functional theory and macroscopic equations
Poisson-Nernst-Planck	Generalized Poisson-Nernst-Planck Models with Finite Size Effects
Polarization	Rolling Waves with Non-Paraxial Phonon Spins A Real-Space Two-Scale Analysis of the Polarization Density in Ionic Solids
Polyconvexity	Nonlocal models in Elasticity
polycrystal	Multiscale mechanics and recrystallization of glacier ice
polycrystalline materials	Grain Structure, Grain Growth and Evolution of the Grain Boundary Network Partial Differential Equation Based Methods for Reconstruction of Grain Orientation Data
polycrystalline microstructure	Towards a gradient flow for microstructure
Polycrystalline microstructures	Moment Invariants as Microstructure Topology Descriptors
polycrystals	Derivation of linearised polycrystals from a 2D system of edge dislocations The role of nucleation in grain growth simulations of polycrystals Topological defects in two-dimensional orientation-field models for grain growth Emergence of rigid Polycrystals from atomistic Systems with Heitmann-Radin sticky disk energy Exploding, weeping and reversible phase transformations in polycrystals Towards a Predictive Theory of Grain Growth: Experiments, Simulations and Data Analytics
polygon	Minimality of polygons in a nonlocal anisotropic isoperimetric problem
Polyhedral unit	Mechanical and auxetic properties of polyhedral units with sharing edges
Polymer Particles Morphology	A Multi-scale Model for Prediction of Particles Morphology Formation
polymerization	Mathematical analysis of the prion equation The initial-boundary value problem for the Lifshitz-Slyozov equation with non-smooth rates at the boundary
Polymers	Bottom-up coarse-graining of polymers using local density potentials
polytopes	On nonlocal energies in the class of polytopes
polytypism	Polytypic and symmetry relations between Na2Mn3(SO4)4 polymorphs
Polyurethane foam	Application of homogenization theory to polyurethane foam
Population Balance Equations	A Multi-scale Model for Prediction of Particles Morphology Formation
Poroelastic media	AI-aided, incremental numerical approach for finite strain poroelasticity: On the brain tissue deformation
Porous medium	Multiscale analysis of a double porosity poroelastic medium subject to osmotic stress
potential energy curves	Machine learning configuration interaction: Developments and Applications
Potential problems	High order imperfect interface models for 2D potential problems with thin layers: Theory, computations, and applications
Potential Theory	Explicit minimizers of nonlocal interaction energies Generalized Stress Potentials in Nonlinear Incompatible Elasticity
power law	Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
ppRPA	Low scaling algorithm for the ppRPA correlation energy
Pre-strained multilayers	Effective theories and energy minimizing configurations for heterogeneous multilayers
preconditioner	A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
preconditioning	Numerical Comparisons of Some Semi-implicit and Fully Implicit Solvers for Functionalized Cahn-Hilliard and Phase Field Crystal Equations. Using the density-functional toolkit (DFTK) to design black-box methods in density-functional theory
predictability	Predicting complex dislocation dynamics using machine learning
Prestrain	Effective bending–torsion theory for rods with micro‐heterogeneous prestrain
Principal Strains	Approaches to the 2D Nematic Elastomers Inverse Design Problem
Probabilistic graphical models	Uncertainty Quantification for Probabilistic Graphical Models
Probabilistic learning	Data-Driven Physics Discovery
Process with killing	On Synchronized Fleming-Viot Particle Systems
Projection method	Computing Quasiperiodic Systems A Three-Dimensional Continuum model for Grain Boundary Motion Incorporating Dislocation Structure
protected edge states	Robust edge modes in dislocated systems of subwavelength resonators Topologically protected edge modes in non-Hermitian subwavelength resonator structures
pseudo-triangulation	Pseudo-triangulations for 2D auxetic designs
Pseudopotential	Fast and accurate density functional theory calculations reaching ~100,000 electrons using DFT-FE---a massively parallel real-space code using higher-order adaptive spectral finite-element discretization
pseudopotentials in QMC	Some Recent Advances in Quantum Monte Carlo Methods
PT symmetry	Topologically protected edge modes in non-Hermitian subwavelength resonator structures
Q
Q-tensor model	A Moving Mesh Finite Element Method for Modelling Defects in Liquid Crystals
QC-DMRG	Tensor approximations of electronic wavefunctions and the curse of dimension
QM/MM	Adaptive QM/MM method for crystalline defects
quadrilateral kirigami	The designs of rigidly deployable quadrilateral origami and kirigami
quadrilateral origami	The designs of rigidly deployable quadrilateral origami and kirigami
quantification	Quantifying the uncertainty in extrapolation of complex electromagnetic permittivity functions
quantization	Asymptotic optimality of the triangular lattice for a class of optimal location problems
quantum chemistry	The Semistochastic Heatbath Configuration Interaction method for near Full Configuration Interaction energies Machine learning configuration interaction: Developments and Applications
quantum graph	Aspects of the spectrum of multi-layer graphene-type graph operators
Quantum graphs	Guided modes in a hexagonal periodic graph like domain
Quantum Hall systems	(De)localized Wannier functions for quantum Hall systems
quantum machine learning	Sparse Quantum Gaussian Processes
quantum many-body problem	Reinforcement Learning Configuration Interaction Solving the k-sparse Eigenvalue Problem with Reinforcement Learning Scalable variational embedding for quantum many-body problems A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
quantum many-body systems	Entanglement and tensor truncations in matrix product state simulations
quantum matter	Entanglement and tensor truncations in matrix product state simulations
quantum mechanics	Computational exploration of energy storage materials using theoretical chemistry and machine learning Multiscale Modeling of Molecular and Nano-Materials: Towards Stronger Coupling of Quantum and Continuum Scales Van der Waals Interactions in Materials Modelling
quantum Monte Carlo	Some Recent Advances in Quantum Monte Carlo Methods Weight-Sharing Across Nuclear Geometries Can Improve Optimization in Deep Learning-Based Variational Monte Carlo
quantum spin Hall effect	A new approach to transport coefficients in the quantum spin Hall effect
quantum transport theory	A new approach to transport coefficients in the quantum spin Hall effect
quantum-mechanical potential energy surface	Mathematical sketches of machine-learning interatomic potentials and open problems
quasi-crystalline composites	Quasi-crystalline homogenization of integral energies subjected to differential constraints
quasi-stationary distribution	Langevin processes in bounded-in-position domains: application to quasi-stationary distributions Foundation of first order kinetics: the quasi stationary distribution approach.
quasicrystals	Computing Quasiperiodic Systems Continuum limits of discrete isoperimetric problems and Wulff shapes in lattices and quasicrystal tilings
quasiparticles	Stochastic approaches to many-body perturbation theory
Quasiperiodic composites	Forward and inverse homogenization for quasiperiodic composites
Quasiperiodic systems	Computing Quasiperiodic Systems
quenched invariance principle	Regularity for non-uniformly elliptic equations and applications to the random conductance model
Quotient space	Comparing Local Atomic Environments by the Gromov-Wasserstein Distance
R
radial basis functions	Meshfree methods for problems with variable-order fractional Laplacian
radial distribution function	Local Observation of Atomic ordering in Alloys via the Radial Distribution Function: A Computational and Experimental Approach
random checkerboard	An invitation to quantitative stochastic homogenization
random coefficients	Stochastic Gradient Descent for Solving Partial Differential Equations with Uncertainty
random conductance model	Regularity for non-uniformly elliptic equations and applications to the random conductance model
Random discretization	Asymptotic analysis of singularly perturbed elliptic functionals
Random Field Theory	Data Analysis in Soft Matter and Molecular Simulations using Topology and Random Field Theory
random geometry	Stochastic homogenization on randomly perforated domains
random materials	Optimal convergence rates in stochastic homogenization of nonlinear uniformly elliptic PDEs
Random media	Pinning of interfaces in a random medium with zero mean The coherent electromagnetic field by a particulate media – numerical implementation in a planar geometry Scaling Laws for Curvature-Driven Interface Propagation
random surfaces	Quantitative homogenization of Helffer-Sjöstrand equations
range-separated tensor format	Tensor numerical modeling of the collective electrostatic potentials of many-particle systems
rare events	A more efficient way to sample rare events through a combination of importance sampling and Adaptive Multilevel Splitting Temperature Programmed Molecular Dynamics - Accessing rare events using a combination of finite time sampling and bias potentials Enhanced transition path sampling
rate-independent systems	Separately Global Solutions to Rate-Independent Systems - Applications to Large-Strain Deformations of Damageable Solids
rates of convergence	Convergence of Solutions for Peridynamic Elasticity Models
RCGAN	Intelligent in silico Material Design by Deep Learning Networks
reaction coordinate	Coarse-graining methods: mathematical analysis and construction of reaction coordinates Effective dynamics along a reaction coordinate and its application in the timescale estimation of molecular dynamics
reaction coordinates	Finding reaction coordinates with machine learning techniques for free energy computations
reaction diffusion equation	A PDE hierarchy for directed polymers in random environments
Reaction rates	Efficient calculation of nonequilibrium steady states by stratification
Reaction-Diffusion-Convection equations	Mathematical modeling of biodegradation of metallic biomaterials using reaction-diffusion-convection equations and level set method
reactive mass transfer	Sharp-interface modeling and numerical simulation of mass transfer at rising bubbles
Real-space	Fast and accurate density functional theory calculations reaching ~100,000 electrons using DFT-FE---a massively parallel real-space code using higher-order adaptive spectral finite-element discretization Discrete discontinuous basis projection method for large-scale density functional theory calculations A Real-Space Two-Scale Analysis of the Polarization Density in Ionic Solids
real-time imaging	Tales of the Abnormal: Grain Growth in Particle-Containing Systems
recombination	An analytic model that describes the impedance response of perovskite solar cells near open-circuit
recrystallization	Multiscale mechanics and recrystallization of glacier ice
rectangular lattice	Non-hexagonal lattices from a two species interacting system
Reduced Hartree-Fock	The reduced Hartree-Fock model with self-generated magnetic Fields
reduced higher order SVD	Tensor numerical modeling of the collective electrostatic potentials of many-particle systems
Reduced order modeling	A nonlinear substructure method based on a computational plasticity framework for efficient analysis of structural assemblies
Reflection	The coherent electromagnetic field by a particulate media – numerical implementation in a planar geometry
Regularity	Liquid drop model with density perimeter On a non-isothermal Cahn-Hilliard model based on a microforce balance
reinforcement learning	Reinforcement learning and machine learning for characterization and design of matter at the atomic scale Reinforcement Learning Configuration Interaction Solving the k-sparse Eigenvalue Problem with Reinforcement Learning
relative entropy	Convergence to equilibrium in underdamped Langevin dynamics: fluctuation-dissipation relations, entropy production and optimal control Weak-strong uniqueness and stability of evolutions for multi-phase mean curvature flow
Relaxation	A variational model for epitaxial crystal growth with adatoms Relaxation for L^1 disturbances in the Cahn-Hilliard equation and the two-phase Stefan problem Relaxation and representation for energies arising from Mechanics problems
remodeling	A field theory for plant tropisms and axonal durotaxis
remodelling	An elasto-plastic model for the mechanical interaction between cell and ECM AI-aided, incremental numerical approach for finite strain poroelasticity: On the brain tissue deformation
renormalised energy	Domain walls with nonlocal interaction and their renormalised energy in thin ferromagnetic films
repeated eigenvalues	Sensitivity analysis of eigenfunctions
representative volume elements	Optimal convergence rates in stochastic homogenization of nonlinear uniformly elliptic PDEs
Reproducing kernel collocation methods	Asymptotically compatible reproducing kernel collocation methods for nonlocal models
reproducing kernel Hilbert space	Coarse-graining methods: mathematical analysis and construction of reaction coordinates
repulsive/attractive interaction	Domain walls with nonlocal interaction and their renormalised energy in thin ferromagnetic films
reshaping	Reshaping of fcc metal nanocubes and octahedra: atomistic and coarse-grained modeling
Residual Stress	Geometric Frustration and the Intrinsic Approach to Material
resonant structure	Superdimensional metamaterial resonators
responsive materials	Responsive materials and integrated functional devices Gaussian morphing of Liquid Crystal Elastomer sheets and related systems
Reticular Frameworks	Computational Energy Materials Design in the Big Data Era
rhombic lattice	Non-hexagonal lattices from a two species interacting system
Riemann-Hilbert problem on a Riemann surface	Free boundary problem of antiplane elasticity of inclusions in a half-plane
Riemannian Isoperimetric Problem	LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT
Riemannian manifolds	Asymptotic rigidity for shells in non-Euclidean elasticity
Riesz energy	Stability results for nonlocal geometric evolutions
Riesz fractional gradient	Nonlocal models in Elasticity
rigid deployability	The designs of rigidly deployable quadrilateral origami and kirigami
Rigidity	Rigidity of branching microstructures in shape memory alloys Skyrmions and stability of degree 1 harmonic maps from the plane to the two-dimensional sphere Asymptotic rigidity for shells in non-Euclidean elasticity Microstructures in Shape-Memory Alloys: Rigidity vs Flexibility
robotic metamaterials	Non reciprocal phase transitions
rod theory	A one-dimensional model for elastic ribbons covering a broad range of thickness-to-width ratios
rods	Theories for incompressible strings and rods: a rigorous derivation via Gamma-convergence
rolling wave	Rolling Waves with Non-Paraxial Phonon Spins
rotational invariance	Can (almost) unsupervised machine learning learn chemistry and physics from atomically-resolved imaging data?
rotational surface	The shape of a surface under the effect of the gravity
rotor chain	Transport in rotor chains
Rubber-like materials	Recent results on the variational theory of linearized elasticity
RVE approximation	Representative volume element approximations for laminated nonlinearly elastic random materials
S
saddle point	Solution landscape of a reduced Landau–de Gennes model on a hexagon
sampling	Free-energy calculation of partially ordered clusters Local and global perspectives on diffusion maps in the analysis of molecular systems A Monte Carlo method to sample a Stratification
Sampling algorithms	Optimizing the diffusion of overdamped dynamics
Sampling schemes	Non-reversible sampling schemes on submanifolds
SAV approach	SAV approach with Lagrange multipliers for gradient systems with global constraints
Scalability	Recent progress towards large-scale quantum accuracy materials simulations A Scalable Matrix-Free Eigensolver for Studying Many-Body Localization
Scale invariance	Simulation of normal grain growth by the S-PFM method
Scale-separated Processes	A Multi-scale Model for Prediction of Particles Morphology Formation
scaling hypothesis	The scaling hypothesis for Smoluchowski's coagulation equation: perturbations of the constant kernel
scaling law	Energy minimizing twisting twin patterns in nonlinear elasticity
Scaling Laws	Micromagnetics of Cubic Ferromagnets with Large Magnetostriction Scaling Laws for Curvature-Driven Interface Propagation
scattering	Limiting boundary correctors for periodic microstructures and inverse homogenization series
scattering resonance	Mathematical theory for topological photonic materials in one dimension
SCF	Analysis of self-consistent field and direct minimization algorithms for electronic structure
Schallamach wave	Debonding waves in gel thin films
Scharfetter-Gummel methods	Modelling charge transport in perovskite solar cells: Potential-based and limiting ion depletion
Schauder estimates	Regularity theory for nonlocal space-time master equations
SDRI	Analytical validation of variational models for epitaxially strained thin films
SDRI model	A unified model for stress-driven rearrangement instabilities
second kind Chebyshev polynomials	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
Segre-Silberberg effect	Microfluidic flow of colloid-liquid crystal composite materials
selected configuration interaction	The Semistochastic Heatbath Configuration Interaction method for near Full Configuration Interaction energies Reinforcement Learning Configuration Interaction
Self Assembled Monolayers	Data Analysis in Soft Matter and Molecular Simulations using Topology and Random Field Theory
Self Consistent mean field	Sterols and phospholipids: from self-consistent mean field theory to phase field reduction
self consistent mean field theory	Robust Stability of Multicomponent Membranes: the role of Cholesterol
Self-assembly	Frustrated Self-Assembly of Non-Euclidean Crystals of Nanoparticles
self-avoiding functional	A bending‐twist model for elastic rods
self-consistent field	Using the density-functional toolkit (DFTK) to design black-box methods in density-functional theory
self-folding	Flexibility at critical points in origami and mechanisms
Self-generated magnetic fields	The reduced Hartree-Fock model with self-generated magnetic Fields
self-healing	Healing process modelling and lifetime evaluation for self-healing ceramic matrix composites
self-similar solutions	Self-similar lifting and persistent touch-down points in the thin-film equation
semi-discrete optimal transport	Asymptotic optimality of the triangular lattice for a class of optimal location problems
semiconductor device modelling	Modelling charge transport in perovskite solar cells: Potential-based and limiting ion depletion
semiconductor device physics	Modelling perovskite solar cells: from drift diffusion to an equivalent circuit
semiconductor laser	Dirac-vortex topological cavity and fiber
semiconvexity	Symmetric polyconvexity: Characterizations and applications in relaxation theory
Semidefinite programming	Scalable variational embedding for quantum many-body problems
semilinear problems	Growth-fragmentation-coagulation equations with unbounded coagulation kernels
semistochastic	The Semistochastic Heatbath Configuration Interaction method for near Full Configuration Interaction energies
Semisupervised Learning	Consistency of Higher Order Derivatives on Random Point Clouds and Applications to Semisupervised Learning
Sensitivity analysis	VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING
Sensitivity to imperfections	Revisiting the buckling of cylindrical shells under axial compression
Sequential Monte Carlo	On Synchronized Fleming-Viot Particle Systems
Shallow water model	A ''monopole-spectral flow'' correspondence for unidirectional waves in 2D.
shallow-water waves	Topological indices for shallow-water waves.
shape classification	Shape and Pattern in Biological System – Classifying Aortic Geometry from Clinical Data
shape fluctuation	Shape Fluctuation of Metallic Nanoclusters: Observations from Long­ Timescale Simulations
shape memory alloy	Low volume fraction microstructures in shape-memory alloys
Shape memory alloys	Rigidity of branching microstructures in shape memory alloys Towards modelling of (20-1) plastic twinning in Ni-Ti martensite
shape memory materials	Exploding, weeping and reversible phase transformations in polycrystals
shape optimization	Stress minimization with lattice structures Shape optimization problems in Liquid Crystals Shape Optimization with Nearly Conformal Transformations Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
shape programming	Gaussian morphing of Liquid Crystal Elastomer sheets and related systems
Shape reconstruction	Application of non-iterative topological sensitivity based algorithms to the detection of multiple impedance obstacles Experimental Detection and Shape Reconstruction of Inclusions in Elastic Bodies via Monotonicity-Based Methods
shape-memory alloy	Energy minimizing twisting twin patterns in nonlinear elasticity
Shape-memory alloys	Asymptotic self-similarity in a model of shape-memory alloys Branching of twins in shape memory alloys revisited Microstructures in Shape-Memory Alloys: Rigidity vs Flexibility
Shape-morphing	Oscillating membranes: modeling and controlling autonomous shape-transforming sheets
Sharing edge	Mechanical and auxetic properties of polyhedral units with sharing edges
sharp interface	Study of the Stefan problem with internal heat generation using sharp interface models
sharp interface limit	Sharp Interface Limits for Diffuse Interface Models
sharp-interface continuum thermodynamics	Sharp-interface modeling and numerical simulation of mass transfer at rising bubbles
Sharp-interface limits	Sharp-interface limits in the dynamics of phase transitions: from the Allen-Cahn equation to liquid crystals
shear transformation zone	Calculating the Local Yield Surface in 3D Model Glasses
shear viscosity	Accurate and efficient splitting methods for dissipative particle dynamics
shell theory	A one-dimensional model for elastic ribbons covering a broad range of thickness-to-width ratios Asymptotic rigidity for shells in non-Euclidean elasticity
Shells	Effect of the thickness on the curvature-induced rigidity of flat sheets
Silicosis model	A coagulation-fragmentation-death model for silicosis
Simulated annealing	Screening Energetically Stable Structures of LLZO garnets for Lithium-Ion Battery Applications with a Reduced Discrete Optimization Model
simulated tempering	Local and global perspectives on diffusion maps in the analysis of molecular systems
Simulation of rare events	Sampling conditioned trajectories using Langevin bridges
simulations	Reaching for the radiative limits, interfaces and mobile ions in perovskite cells
Singular integro-differential equations	Axisymmetric penny-shaped fracture problem at nanoscale
Singular interactions	Discrete-to-continuum limit of dislocation dynamics including collisions
singular limit	Weak compactness of two-dimensional liquid crystal and magnetic flows
singular minimal surface	The shape of a surface under the effect of the gravity
Singular perturbation problem	Some mathematical aspects of geophysical fluid dynamics
singular perturbations	Asymptotic analysis of singularly perturbed elliptic functionals
Singular Set	On the regularity of singular sets of minimizers for the Mumford-Shah energy
singularities	Evolution of grain boundaries
singularly perturbed reaction-diffusion systems	Localized patterns and narrow escape problems in more general geometries
SK-ROCK	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
Skin effect	Topological Pumping in electromechanical waveguides and future opportunities on non-Hermitian waveguides with feedback interactions
skyrmion	Contact geometry and the structure and elasticity of chiral materials Exotic defect structures of a chiral liquid crystal sandwiched by two parallel substrates and their optical properties Unraveling the role of long range dipolar interactions in the stabilisation of compact magnetic skyrmions Geometry of skyrmion dynamics
skyrmion profile	The profile and the energetics of chiral skyrmions
Skyrmions	Skyrmions and stability of degree 1 harmonic maps from the plane to the two-dimensional sphere Ferromagnetism at nanoscale
Slip	Twinning and slip in Bravais lattices
slow manifolds	Motion of droplets in the stochastic Cahn-Hilliard model
slow-fast system	Goal-oriented coarse-graining of multiscale diffusions with parameter uncertainties
slowdown	The slowdown of group velocity in periodic waveguides
small magnetization oscillations	Large-Scale Eigenmode Computation for Magnetization Dynamics in Micromagnetic Systems
Smectic A liquid crystals	Variational and Numerical Analysis of a Double Landau--de Gennes Model for Smectic Liquid Crystals Mixed finite-element methods for smectic A liquid crystals
Smectic liquid crystals	Bifurcation analysis of a new Q-tensor model for Smectic-A liquid crystals Undulations and Switching mechanisms in Smectic Liquid Crystals
smectics	3D smectics: a sharp lower bound and connection to Aviles-Giga Disclinations and Dislocations in Smectics and Crystals
Smoluchowski's equation	The scaling hypothesis for Smoluchowski's coagulation equation: perturbations of the constant kernel Asymptotic localization in multicomponent coagulation equations
Smoluchowski’s equation	Stationary non-equilibrium solutions for coagulation equations
Smooth Particle Hydrodynamics	Is there a place for Mesh Free modelling of liquid crystals?
Sobolev-Orlicz spaces	Borderline existence problems for nematic elastomers and neoHookean materials
Soft Active Matter	The many behaviors of deformable active droplets
soft matter physics	A Monte Carlo method to sample a Stratification
soft robotics	2D soft robotic functions formed in liquid crystal polymer network Gaussian morphing of shape-shifting bio-inspired surfaces
Soft-robotics	Oscillating membranes: modeling and controlling autonomous shape-transforming sheets
Soft-Swimmers	Oscillating membranes: modeling and controlling autonomous shape-transforming sheets
Softmagnets	Removing hysteresis from magnetic materials
solar	Is the device model of Perovskite based solar cells well defined?
solar cells	An analytic model that describes the impedance response of perovskite solar cells near open-circuit Modelling perovskite solar cells: from drift diffusion to an equivalent circuit
Solid-state dewetting	A sharp-interface model for simulating solid-state dewetting of thin films with thickness-dependent surface energies
solitons	Three-dimensional solitons in flexoelectric nematic liquid crystals
solute segregation	Comparative atomistic-continuum modeling and experimental characterization of dislocation-solute interaction in binary alloys
solute transport	Analysis of Anisotropic Nonlocal Diffusion Models: Well-posedness of Fractional Problems for Anomalous Transport Multiscale analysis of a double porosity poroelastic medium subject to osmotic stress
solution landscape	Solution landscape of a reduced Landau–de Gennes model on a hexagon Construction of Solution Landscape of Nematic Liquid Crystals
source terms	Stationary non-equilibrium solutions for coagulation equations
Sparse Gaussian Processes	Physically-Motivated Requirements of Machine Learning Potentials
spectral analysis	Stochastic homogenization of high-contrast media
spectral convergence rate	Numerical Analysis of the Multiple Scattering Method for Quantum Eigenvalue Problems
Spectral finite-elements	Fast and accurate density functional theory calculations reaching ~100,000 electrons using DFT-FE---a massively parallel real-space code using higher-order adaptive spectral finite-element discretization
Spectral flow	Dirac operators with magnetic links
spectral gap	Spectral gap for the growth-fragmentation equation via Harris's Theorem
Spectral methods	Spectral modeling of light propagation in twist cells
Spectral theory	Guided modes in a hexagonal periodic graph like domain The density of states in twisted bilayer graphene Spectrum of graphene models in magnetic fields
spectrum	Aspects of the spectrum of multi-layer graphene-type graph operators
Spherical symmetry	Lower bound for the coalescence load in 2D neoHookean materials
spin	Rolling Waves with Non-Paraxial Phonon Spins
spin conductivity	A new approach to transport coefficients in the quantum spin Hall effect
Spin symmetries	Numerical methods for open-shell electronic systems
spin systems	Nucleation and growth of lattice crystals Geometrically frustrated spin systems: The antiferromagnetic XY model on the triangular lattice
spin waves	Large-Scale Eigenmode Computation for Magnetization Dynamics in Micromagnetic Systems
Spin-waves	Highly Nonlinear Ferromagnetic Resonance in Nanomagnets
spintronics	Ferromagnetic and synthetic antiferromagnetic skyrmions in magnetic multilayers: 3D textures and investigations of the Dzyaloshinskii-Moriya interaction
Splitting algorithms	A splitting method to reduce MCMC variance
splitting equations of motion	A Novel Hybrid Monte Carlo Algorithm for Sampling Path Spaces
splitting methods	Accurate and efficient splitting methods for dissipative particle dynamics
spurious reflection	A study of dispersion relations for coupling nonlocal and local elasticities
square lattice	Non-hexagonal lattices from a two species interacting system
Stability	Visualisation of large crystal datasets by using TreeMaps and isometry invariants A continuous, complete, isometry classification of crystals The role of nucleation in grain growth simulations of polycrystals Stability of solutions with peaks for a coagulation-fragmentation equation Ferronematics in Confinement - Order Reconstruction, Defects and Multistability
Stability analysis	Asymptotically compatible reproducing kernel collocation methods for nonlocal models
stability of crystalline solids	Finite Temperature Cauchy-Born Rule and Stability of Crystalline Solids with Point Defects
state-based peridynamics	Convergence of Solutions for Peridynamic Elasticity Models
Static problems	Relaxation of static problems
static rigidity	Statics, pre-stress stability and second-order rigidity of rigid origami
Statics	Spontaneous Topography in Liquid Crystal Films
statistical learning	Statistical Learning of Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics
Statistical mechanics	Free-energy calculation of partially ordered clusters Revisiting the hard-particle equation of state
Statistical mechanics-based field theory	Statistical field theory model for Liquid Crystal Elastomers
statistical physics	Quantitative homogenization of Helffer-Sjöstrand equations
Statistics	Digital Fingerprinting Materials Microstructure
Stefan problem	Study of the Stefan problem with internal heat generation using sharp interface models Relaxation for L^1 disturbances in the Cahn-Hilliard equation and the two-phase Stefan problem
Steigmann-Ogden surface energy	Axisymmetric penny-shaped fracture problem at nanoscale
Steklov eigenproblem	On an interior Calderon operator and a related Steklov eigenproblem for Maxwell's equations
step bunching	Energy scaling of step bunching and undulation instabilities for epitaxial growth with elastic effects in 2+1 dimensions
step undulation	Energy scaling of step bunching and undulation instabilities for epitaxial growth with elastic effects in 2+1 dimensions
Stepwise regression	Variational system identification of the partial differential equations governing microstructure evolution in materials: Inference over sparse and spatially unrelated data
Steric effects	Generalized Poisson-Nernst-Planck Models with Finite Size Effects
stick-slip dynamics	From topology of force networks to avalanche prediction in sheared particulate systems
sticky disk potential	Emergence of rigid Polycrystals from atomistic Systems with Heitmann-Radin sticky disk energy
stochastic averaging	A macroscopic model for dynamic contact angle hysteresis
stochastic Cahn-Hilliard	Motion of droplets in the stochastic Cahn-Hilliard model
stochastic chemical kinetics	Hybrid modelling for the stochastic simulation of multi-scale chemical kinetics
stochastic differential equations	Parareal algorithms for molecular dynamics simulations Likelihood ratio methods for estimating linear response of non-equilibrium steady states. Accurate and efficient splitting methods for dissipative particle dynamics
stochastic gradient descent	CSG: A new stochastic gradient method for the efficient solution of structural optimization problems with infinitely many states Stochastic Gradient Descent for Solving Partial Differential Equations with Uncertainty
Stochastic homogenisation	Stochastic Homogenisation of Free-Discontinuity Problems
stochastic homogenization	On the Bourgain-Spencer conjecture in stochastic homogenization On the homogenized surface tension of random energies defined on partitions Quantitative homogenization of Helffer-Sjöstrand equations Approximating the fluctuations in random heterogeneous problems Homogenization of free-discontinuity functionals in randomly perforated domains Representative volume element approximations for laminated nonlinearly elastic random materials Fracture Models - Stochastic Homogenization and Continuum Limits of Discrete Particle Systems Optimal convergence rates in stochastic homogenization of nonlinear uniformly elliptic PDEs Optimal artificial boundary conditions for three dimensional elliptic random media Stochastic homogenization of high-contrast media An invitation to quantitative stochastic homogenization
stochastic methods	Stochastic approaches to many-body perturbation theory
stochastic mirror descent	On stochastic mirror descent with interacting particles: convergence properties and variance reduction
stochastic modeling	Reshaping of fcc metal nanocubes and octahedra: atomistic and coarse-grained modeling
stochastic optimisation	Convergence to equilibrium in underdamped Langevin dynamics: fluctuation-dissipation relations, entropy production and optimal control
stochastic partial differential equations	Second kind explicit stabilized integrators for ergodic and stiff stochastic (partial) differential equations
stochastic reaction-diffusion master equation	Hybrid modelling for the stochastic simulation of multi-scale chemical kinetics
stochastic simulation	Atomistic-informed calibration of partial differential equations for material applications via machine learning
Stokes equation	Sharp Interface Limits for Diffuse Interface Models
Stokes equations	2D Stokes Problem With a Moving Contact Line
Stokes flow	Hydrodynamic cavitation in Stokes flow of anisotropic fluids
strain gradient models	Non-linear 1D models for slender structures
stress	Statics, pre-stress stability and second-order rigidity of rigid origami
stress focusing	Crumples as a Generic Stress-Focusing Instability in Confined Sheets
Stress Function	Generalized Stress Potentials in Nonlinear Incompatible Elasticity
Stress intensity factors	Interaction of two moving interfacial Griffith cracks between two dissimilar functionally graded piezoelectric layers subject to electro-mechanical loading
stress minimization	Stress minimization with lattice structures
stress redistribution	The spider web problem: guiding stresses with discrete networks.
stress tensor	Mesoscale modelling of dislocation dynamics and plastic flow
Stress-space relaxation	Relaxation of static problems
stress/strain driven	An initial experience of constrained mixture based cardiac growth and remodelling
Strictly Correlated Electrons	Approximation of optimal transport problem by moment constraints and application to DFT
strings	Theories for incompressible strings and rods: a rigorous derivation via Gamma-convergence
strong anchoring condition	Minimizers for the Cahn--Hilliard Energy Functional under Strong Anchoring Conditions
Strong correlation	Numerical methods for open-shell electronic systems
strongly correlated limit	Tensor approximations of electronic wavefunctions and the curse of dimension
Strongly Correlated Systems	Strictly-Correlated-Electrons approach in Density Functional Theory: regularization and multi-marginal Sinkhorn algorithm
Structural design	A nonlinear substructure method based on a computational plasticity framework for efficient analysis of structural assemblies
Structural optimization	A nonlinear substructure method based on a computational plasticity framework for efficient analysis of structural assemblies
Structural transitions	Flow-induced states and transitions in pressure-driven nematic fluids
structure preservation	Mimetic methods for neural networks
Structure-Property Model	Inference, Uncertainty Quantification, and Uncertainty Propagation for Grain Boundary Structure-Property Models
Structured Deformations	THE VARIATIONAL ENCODING OF HIERARCHIES OF STRUCTURED DEFORMATIONS
structured membranes	Diffusive signaling and the role of receptor clustering in chemoreception
subgrid-scale modeling	Sharp-interface modeling and numerical simulation of mass transfer at rising bubbles
Sublattice Decomposition	Sub-Lattice Parallel Trajectory Splicing: Application to Adatom Migration in Tungsten
Sublevelset persistent homology	Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes
Subperiodic groups	The study of layer and multilayer materials using the Bilbao Crystallographic Server
subsurface diffusion	A fractional model for anomalous diffusion with increased variability. Analysis, algorithms and applications to interface problems
subwavelength resonance	Robust edge modes in dislocated systems of subwavelength resonators Topologically protected edge modes in non-Hermitian subwavelength resonator structures
supercompatibility	Exploding, weeping and reversible phase transformations in polycrystals
superconductivity	The density of states in twisted bilayer graphene Twisted Trilayer Graphene: a Precisely Tunable Platform for Correlated Electrons
superdimensional	Superdimensional metamaterial resonators
Superspace formalism
superspace symmetry	Exploiting superspace symmetry for characterizing modulation functions with first-principles calculations
Supported Nanostructure	Oscillatory decrease with size in diffusivity of {100}-epitaxially supported 3D fcc metal nanoclusters
surface and vector field interaction	Evolution of Vector Fields on Flexible Curves and Surfaces
Surface diffusion	A sharp-interface model for simulating solid-state dewetting of thin films with thickness-dependent surface energies Oscillatory decrease with size in diffusivity of {100}-epitaxially supported 3D fcc metal nanoclusters
surface energies	On the homogenized surface tension of random energies defined on partitions Rugosity effects in liquid crystals
surface energy	A unified model for stress-driven rearrangement instabilities Microscopical Justification of Solid-State Wetting and Dewetting
surface morphology	Mechanisms of self-ordering in the synthesis of quasi-one-dimensional periodic core-shell nanostructures
surface pattern formation	Egg Carton Surfaces in Cholesteric Liquid Crystals: Geometry of Biaxial Wrinkling Waves
Surface tension	2D Stokes Problem With a Moving Contact Line
Surface tension effects	The many behaviors of deformable active droplets
surface wrinkling	Egg Carton Surfaces in Cholesteric Liquid Crystals: Geometry of Biaxial Wrinkling Waves
surrogate modeling	Atomistic-informed calibration of partial differential equations for material applications via machine learning
Surrogate modelling	VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING
sustainable energy	Machine learning with persistent homology and chemical word embeddings improves predictive accuracy and interpretability in metal-organic frameworks
switching mechanism	Undulations and Switching mechanisms in Smectic Liquid Crystals
symmetric polyconvexity	Symmetric polyconvexity: Characterizations and applications in relaxation theory
symmetries	Physics-based machine learning for multiscale computer simulations
Symmetry	Symmetry in structural biology: from viral capsids to self-assembling nanoparticles The study of layer and multilayer materials using the Bilbao Crystallographic Server
Symmetry breaking	Symmetry breaking for local/nonlocal interaction functionals
symmetry groups	Symmetry Groups of Tilings on a Klein Bottle
Symmetry-breaking instabilities	A Bulk-Surface Coupled Model for Intracellular Oscillations
Systems biology	Sloppy models, differential geometry, and why science works
T
tangent-point potential	A bending‐twist model for elastic rods
Tanner's law	Asymptotic analysis of advancing menisci in complete wetting
TBA1	Using Materials Informatics to Quantify Complex Correlations Linking Structure, Properties and Processing in Materials
TBA2	Using Materials Informatics to Quantify Complex Correlations Linking Structure, Properties and Processing in Materials
TBA3	Using Materials Informatics to Quantify Complex Correlations Linking Structure, Properties and Processing in Materials
temperature effects	Energetic Variational Approaches: Boundaries and Temperature
Tensor methods	Tensor approximations of electronic wavefunctions and the curse of dimension
tensor numerical methods	Tensor numerical modeling of the collective electrostatic potentials of many-particle systems
tensor train format	Entanglement and tensor truncations in matrix product state simulations
tensor valued models	Defects in thin nematic liquid-crystalline films
the functionalized Cahn-Hilliard equation	Nonnegative solutions for the Functionalized Cahn-Hilliard equation with degenerate mobility
Thermal conductivity	Application of homogenization theory to polyurethane foam
thermal fluctuations	Large-Scale Eigenmode Computation for Magnetization Dynamics in Micromagnetic Systems Fluctuating plates and singing saws
thermal transport	Transport in rotor chains
thermo-mechanical response	Transport in rotor chains
thermodynamic stability	Free-energy calculation of partially ordered clusters
thermodynamics	Predicting material properties with the help of machine learning
Thermoelectric response	Forward Propagation of Uncertainty in Non-local Cahn-Hilliard model with a physical potential
Theta functions	Theta functions, ionic crystal energies and optimal lattices
Thickness-dependent surface energy	A sharp-interface model for simulating solid-state dewetting of thin films with thickness-dependent surface energies
Thiele equation	Geometry of skyrmion dynamics
thin film	Free surface dynamics of nematic liquid crystal films: dewetting and dielectrowetting
Thin film equation	Asymptotic analysis of advancing menisci in complete wetting
Thin films	Analytical validation of variational models for epitaxially strained thin films Instability, Rupture and Fluctuations in Thin Liquid Films: Theory and Computations Crumples as a Generic Stress-Focusing Instability in Confined Sheets Existence and approximation of equilibrium configurations for epitaxially strained crystalline films Towards a Predictive Theory of Grain Growth: Experiments, Simulations and Data Analytics
Thin layers	High order imperfect interface models for 2D potential problems with thin layers: Theory, computations, and applications
thin sheet elasticity	Twisted topological tangles or: the knot theory of knitting
thin sheets	Parametric excitation of wrinkles in elastic sheets on elastic and viscoelastic substrates On the local mechanics of Kirigami
thin-film equation	Self-similar lifting and persistent touch-down points in the thin-film equation
thin-films	Energy-based variational approach to moving interfaces and contact lines
three-phase contact line	Multiplicity of solutions and wetting transitions for nematic liquid crystal ridges
Thresholding	De Giorgi's inequality for the thresholding scheme with arbitrary mobilities and surface tensions
tilings	Symmetry Groups of Tilings on a Klein Bottle
time domain	Variational methods to determine bounds on the response of viscoelastic composites in the time domain
Time Stepping	Asymptotic Behaviour of Time Stepping Methods for Phase Field Models
time-step error	Some Recent Advances in Quantum Monte Carlo Methods
timescale estimation	Effective dynamics along a reaction coordinate and its application in the timescale estimation of molecular dynamics
TNS	Tensor network state methods for electronic structure calculations
topological data analysis	Development of Nanoporous Materials Using Computational Modeling combined with Topological Data Analysis From topology of force networks to avalanche prediction in sheared particulate systems A Topological Fingerprint for Periodic Crystals Machine learning with persistent homology and chemical word embeddings improves predictive accuracy and interpretability in metal-organic frameworks Classifying Crystal Structures via Bayesian Topological Learning Topology of the configuration space of hard disk systems
Topological Defects	Collisions of monopoles and disclinations in nematics Approaches to the 2D Nematic Elastomers Inverse Design Problem Transport of (and in) biological liquid crystals Numerical Method for Nematic Liquid Crystals with the Maier-Saupe Potential
Topological derivative	Application of non-iterative topological sensitivity based algorithms to the detection of multiple impedance obstacles
topological indices	Topological indices for shallow-water waves.
topological insulators	The localization-topology correspondence via projected position operators A new approach to transport coefficients in the quantum spin Hall effect
Topological mechanics	Auxeticity and transformable topological mechanical metamaterials Fluctuating plates and singing saws
topological metamaterials	Robust edge modes in dislocated systems of subwavelength resonators
Topological methods in PDE's	LUSTERNIK-SCHNIRELMAN AND MORSE THEORY FOR THE VAN DER WAALS-CAHN-HILLIARD EQUATION WITH VOLUME CONSTRAINT
Topological phononic circuits	Acoustic topological circuitry in square and rectangular phononic crystals
Topological phononics	Acoustic topological circuitry in square and rectangular phononic crystals
topological photonics	Mathematical theory for topological photonic materials in one dimension Dirac-vortex topological cavity and fiber
Topological Pumping	Topological Pumping in electromechanical waveguides and future opportunities on non-Hermitian waveguides with feedback interactions
Topological singularitie	The antiferromagnetic XY model on the triangular lattice: topological singularities
Topological singularities	Does the N-clock model approximate the XY model?
topological transformations	Liquid-induced topological transformations of cellular microstructures
topology	Data Analysis in Soft Matter and Molecular Simulations using Topology and Random Field Theory Motif Graphs Provide Continuous Isometry Invariants of Periodic Point Sets Contact geometry and the structure and elasticity of chiral materials Tying molecular knots in liquid crystals Twisted topological tangles or: the knot theory of knitting Disclinations and Dislocations in Smectics and Crystals Statistical Topology of Bond Networks Polytypic and symmetry relations between Na2Mn3(SO4)4 polymorphs
topology optimization	CSG: A new stochastic gradient method for the efficient solution of structural optimization problems with infinitely many states Sensitivity analysis of eigenfunctions Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
toroidal	Homogenization of thermal properties of composite systems in the mesoscale regime. Case Study: Toroidal Inclusions.
toroidal formation
torsional and translational springs	A Method of Designing a Prescribed Energy Landscape for Morphing Structures
total variation flow	Weighted total variation based algorithms for reconstruction of grain orientation data: a comparative study
trace operators	Traces for Functions with No Differentiability
training	Thermodynamic parameterization of neural networks
trajectory sampling	Enhanced transition path sampling
transient response	Modeling slow bias and light step-response in perovskite solar cells exhibiting negligible hysteresis
transient time dynamics	Modeling transient dynamics of coarse-grained molecular systems
transient-time	Data-driven coarse-grained models at transient dynamics
transition	Modeling and Analysis of Patterns in Multi-Constituent Systems with Long Range Interaction
transition mechanism	Exploiting history information to analyze molecular dynamics simulations
transition metal complex	How can Machine Learning Aid Computational Chemistry in Data Generation
transition state theory	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
Transmission	The coherent electromagnetic field by a particulate media – numerical implementation in a planar geometry
transport layers	How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model
transport properties	Predicting material properties with the help of machine learning Oscillatory decrease with size in diffusivity of {100}-epitaxially supported 3D fcc metal nanoclusters
transverse wave	Rolling Waves with Non-Paraxial Phonon Spins
Traveling waves	Traveling wave solutions to the free boundary Navier-Stokes equations
triblock copolymer	Non-hexagonal lattices from a two species interacting system
tribolock copolymers	Analysis on the gradient flow system for the triblock copolymers
triple junction drag	Evolution of grain boundaries with dynamic lattice orientations and triple junction drag
triple junctions/triple lines and quadruple points	Grain Structure, Grain Growth and Evolution of the Grain Boundary Network
tristable structures	Kirigami-inspired Multistable Structures
truss structures	The spider web problem: guiding stresses with discrete networks.
TT	Tensor network state methods for electronic structure calculations
Turbulence	Active nematics: from turbulent to steered flows
Twinning	Twinning and slip in Bravais lattices
Twist	A simple variational problem in a one-dimensional cholesteric
Twist cells	Spectral modeling of light propagation in twist cells
Twisted bilayer graphene	The density of states in twisted bilayer graphene
Twisted molecular crystals	Geometric Frustration and the Intrinsic Approach to Material
two dimensional materials	Modeling buckling and topological defects in stacked two dimensional layers ofgraphene and hexagonal boron nitride
two species interaction system	Non-hexagonal lattices from a two species interacting system
two-dimensional materials	Multiscale Modelling of Structure and Heat Transport in 2D Materials
two-field approximation	Eigendamage: An Eigendeformation Model for Cohesive Fracture
two-fluid mixture	Integral representation of fluid permeability
two-phase material	The minimization of the first eigenvalue of a two-phase material for the p-Laplacian operator.
two-scale convergence	Homogenization for a Variational Problem witha Slip Boundary Condition Homogenization of a non-dilute suspension of a viscous fluid with magnetic particles
two-scale simulation	A two scale approach to printable microstructures
two-scale-cut-and-project convergence	Quasi-crystalline homogenization of integral energies subjected to differential constraints
U
ultra-thin formwork	Foldable Structures and Materials
Uncertainties	CSG: A new stochastic gradient method for the efficient solution of structural optimization problems with infinitely many states
Uncertainty Propagation	Forward Propagation of Uncertainty in Non-local Cahn-Hilliard model with a physical potential Inference, Uncertainty Quantification, and Uncertainty Propagation for Grain Boundary Structure-Property Models
Uncertainty Quantification	Computational and Data-Driven Multi-Scale Design of Materials under Uncertainty: Current and Future Challenges Inference, Uncertainty Quantification, and Uncertainty Propagation for Grain Boundary Structure-Property Models Design of Composite Fiber Paths under Manufacturing Uncertainties for Improved Mechanical Performance Uncertainty Quantification of Microstructures using Shape Moment Invariants Automated discovery and analytic calculation of defect diffusion with quantified uncertainty Uncertainty Quantification in Functional Model Calibration: An Application in Coarse-Grained Epoxy Models VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING Goal-oriented coarse-graining of multiscale diffusions with parameter uncertainties Uncertainty Quantification for Probabilistic Graphical Models
Unconditional energy stable scheme	Phase field model for Ni-Al alloy
unconditional stability	Numerical Analysis of a Continuous Interior Penalty Method for the Phase Field Crystal Equation
undulations	Undulations and Switching mechanisms in Smectic Liquid Crystals
Uniform convergence	A non-local model of nematic liquid crystals: regularity and convergence in the large-domain limit
uniform domains	Traces for Functions with No Differentiability
uphill diffusion	Transport in rotor chains
V
Vacancy diffusion	Dislocation climb models from atomistic scheme to dislocation dynamics
Validation	VIRTUAL TESTING APPLIED TO COMPOSITE MATERIAL MODELLING
van der waals heterostructures	Modeling the Mechanics of 2D Materials
van der Waals interactions	Van der Waals Interactions in Materials Modelling
vanishing horizon	Nonlinearities in nonlocal models Nonlocal operators on bounded and unbounded domains
vanishing interaction horizon	Convergence of Solutions for Peridynamic Elasticity Models
Variable exponent	Fractional Operators with Variable Exponent and Applications
variable-order fractional Laplacian	Meshfree methods for problems with variable-order fractional Laplacian
Variable-order fractional operators	A fractional model for anomalous diffusion with increased variability. Analysis, algorithms and applications to interface problems
variance estimates	On the homogenized surface tension of random energies defined on partitions
variance reduction	Efficient calculation of nonequilibrium steady states by stratification Likelihood ratio methods for estimating linear response of non-equilibrium steady states. On stochastic mirror descent with interacting particles: convergence properties and variance reduction
Variational analysis	Variational and Numerical Analysis of a Double Landau--de Gennes Model for Smectic Liquid Crystals
variational autoencoders	Automated identification of collective variables and metastable states from molecular dynamics data Can (almost) unsupervised machine learning learn chemistry and physics from atomically-resolved imaging data?
Variational discretization	Variational Lagrangian schemes to generalized diffusions, gradient flows and beyond: A discrete energetic variational approach
variational formulation	Stochastic Gradient Descent for Solving Partial Differential Equations with Uncertainty
variational formulations as C++ objects	Manifem - a flexible library for meshing, remeshing and solving pdes on manifolds
variational inequality	Nonlocal phase-field models permitting sharp interfaces
Variational Inference	Atom Sequencing for Disordered Materials
variational method	Effective Behavior of Viscoelastic Composites with Regular Periodic Microstructures
variational methods	Derivation of linearised polycrystals from a 2D system of edge dislocations Optimal convergence for the Mullins-Sekerka evolution
variational model	A variational model for epitaxial crystal growth with adatoms
variational models for composite materials	Asymptotic rigidity and homogenization of variational models for anisotropic high-contrast composites
Variational principles	Relaxation of static problems
vertex code	The role of nucleation in grain growth simulations of polycrystals
Vibration	Mechanical and auxetic properties of polyhedral units with sharing edges
vibrational density of states	On the physical origin of the Meyer-Neldel rule or compensation effects : the link between prefactors and energy barriers
Virtual observables	Physics-aware, deep, probabilistic coarse-grained models with guaranteed stability
viscoelastic composite	Effective Behavior of Viscoelastic Composites with Regular Periodic Microstructures
Viscoelasticity	Variational methods to determine bounds on the response of viscoelastic composites in the time domain Derivation of von Kármán plate theory in the framework of three-dimensional viscoelasticity
Viscosity Solutions	Scaling Laws for Curvature-Driven Interface Propagation
viscous flow	Homogenization of a non-dilute suspension of a viscous fluid with magnetic particles
Voronoi cell	Optimal Lattice Quantizers and Best Approximation in the Wasserstein Metric
Voronoi domains	A continuous, complete, isometry classification of crystals
vortex dynamics	Point vortex dynamics for the Euler equations
vorticity concentration	Point vortex dynamics for the Euler equations
W
Wannier functions	The localization-topology correspondence via projected position operators Mathematical Models of Electronic Structure (De)localized Wannier functions for quantum Hall systems
Wasserstein Metric	Optimal Lattice Quantizers and Best Approximation in the Wasserstein Metric Coupling Methods for Hamiltonian Monte Carlo Training Generative Adversarial Nets through Divergence Minimization: Which Divergences to Use?
wave equation	A study of dispersion relations for coupling nonlocal and local elasticities
Wave propagation	Anomalous energy transport in laminates with exceptional points The electromomentum coupling in generalized Willis media
wave speed	Rolling Waves with Non-Paraxial Phonon Spins
wavelet scattering transform	Data driven multiscale interatomic potentials and the problem of extrapolation
Weak solutions	Nonnegative solutions for the Functionalized Cahn-Hilliard equation with degenerate mobility On a non-isothermal Cahn-Hilliard model based on a microforce balance
Weak-strong uniqueness	Weak-strong uniqueness and stability of evolutions for multi-phase mean curvature flow
weakly correlated limit	Tensor approximations of electronic wavefunctions and the curse of dimension
weakly singular kernels	Nonlocal operators on bounded and unbounded domains
Weighted ensemble	A splitting method to reduce MCMC variance
weighted monotonicity formula	A curve shortening equation with time-dependent mobility related to grain boundary motions
weighted total variation flow	Partial Differential Equation Based Methods for Reconstruction of Grain Orientation Data
wetting	Microscopical Justification of Solid-State Wetting and Dewetting
Wetting and prewetting	Electro-prewetting phase transitions and pattern-formation in liquid mixtures in electric field gradients
wetting transition	Multiplicity of solutions and wetting transitions for nematic liquid crystal ridges
Willis materials	The effective properties of some dynamic laminates
Willis tensor	The electromomentum coupling in generalized Willis media
Willmore flow	New phase field approximations of the Willmore energy
Willmore-type flow	Evolution of Vector Fields on Flexible Curves and Surfaces
Winterbottom shape	Microscopical Justification of Solid-State Wetting and Dewetting
wire webs	The spider web problem: guiding stresses with discrete networks.
work	Photostress and Photowork: characterizing the photomechanical response of materials
Wrinkle patterns	Convex analysis of wrinkle patterns in confined elastic shells Wrinkles in elastic sheets and defect-proliferated patterns in liquid crystalline phases
wrinkling	Parametric excitation of wrinkles in elastic sheets on elastic and viscoelastic substrates A (truly) new wrinkle on liquid sheets Crumples as a Generic Stress-Focusing Instability in Confined Sheets Buffering by buckling: Changing apparent Gaussian curvature isometrically
Wulff shape	On nonlocal energies in the class of polytopes Minimality of polygons in a nonlocal anisotropic isoperimetric problem
Wulff shape classification	Continuum limits of discrete isoperimetric problems and Wulff shapes in lattices and quasicrystal tilings
X
X-ray methods	Objective structures: a principle for the design of metamaterials, light waves and origami
XY model	Does the N-clock model approximate the XY model?
Z
Zak phase	Mathematical theory for topological photonic materials in one dimension
Zener-Smith pinning	Tales of the Abnormal: Grain Growth in Particle-Containing Systems
Zero modes	Dirac operators with magnetic links
Zhang-Li torque	Geometry of skyrmion dynamics
Γ
Γ-convergence	Quasi-crystalline homogenization of integral energies subjected to differential constraints The antiferromagnetic XY model on the triangular lattice: topological singularities Eigendamage: An Eigendeformation Model for Cohesive Fracture