OSDX 2024: ORNL SOFTWARE AND DATA EXPO 2024

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

A
additive manufacturing	ORNL Slicer Software for insight into metal additive manufacturing processing conditions and microstructure development Live Simulation Feedback Additive Manufacturing using INTERSECT
AI for Science	Role and Implementation of Uncertainty Quantification in Accelerating the Development of Machine Learning Interatomic Potentials
AI/ML	Chemistry AI Hackathon​
Analysis	NDIP: Interactive Tooling
Analytics	A Digital Twin Framework for Liquid-Cooled Supercomputers
API	IRI Science Applications on the Advanced Computing Ecosystem Testbed
architecture	Moving from Desktop to Web Application Architecture​ - Design Considerations using GARNET​
artificial bee colony	pyGlobOpt: Adaptive Learning Global Optimization and Reaction Pathways Search
Artificial Intelligence	Distributed Workflows Automation at OLCF with Zambeze and Flowcept Scalable, energy-efficient training of graph neural networks for accurate and stable predictions of atomistic properties
Assurance	ORNL Software Quality Assurance (SQA) Program Requirements Awareness
Atomistic Materials Modeling	Scalable, energy-efficient training of graph neural networks for accurate and stable predictions of atomistic properties
Augmented Reality	A Digital Twin Framework for Liquid-Cooled Supercomputers
AutoBEM	Model America and Future Weather files development for Building Energy Simulation
Automated Construction	Automatic point Cloud Building Envelope Segmentation (Auto-CuBES) using Machine Learning
Automation	Accessible Content Organization for Research Needs (ACORN) Schemas ACTIVE: the Automated Control Testbed for Integration Verification and Emulation
autonomous	Live Simulation Feedback Additive Manufacturing using INTERSECT
autonomous experiments	Ongoing Journey to Digital Twin and Experimental Steering for Neutron Diffraction at ORN
B
benchmarking	Exploring Vision Transformers on The Frontier Supercomputer for Remote Sensing and Geoscientific Applications
Big Data	Automatic Building Energy Modeling (AutoBEM) and its Model America dataset – background, capabilities, and discussion
BIOSANS	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
Building Energy	Model America and Future Weather files development for Building Energy Simulation
Building Energy Modeling	Automatic Building Energy Modeling (AutoBEM) and its Model America dataset – background, capabilities, and discussion
C
C++	ArborX: a performance portable geometric search library Kokkos Tutorial SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer
calibration	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
campaign	INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
Chapel	Scalable GPU sort on Frontier with Chapel
chemical analysis	Custom instrument control and data analysis software packages for mass spectrometry
clustering	ArborX: a performance portable geometric search library
cmake	Automated Testing and Continuous Integration for the KORC Codebase
collaboration	Preferred Practices Through a Project Template
computational chemistry	Chemistry AI Hackathon​
computational physics	Efficient and portable tensor contractions using NTCL
Content	Accessible Content Organization for Research Needs (ACORN) Schemas
continuous delivery	Continuous Integration (CI) and Continuous Delivery / Deployment (CD) using GitHub Actions
continuous deployment	Continuous Integration (CI) and Continuous Delivery / Deployment (CD) using GitHub Actions
continuous integration	Continuous Integration (CI) and Continuous Delivery / Deployment (CD) using GitHub Actions Automated Testing and Continuous Integration for the KORC Codebase
coupled clusters	Efficient and portable tensor contractions using NTCL
CPU	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
CPU/GPU	Performance portable CPU/GPU code with Julia and JACC.jl
ctest	Automated Testing and Continuous Integration for the KORC Codebase
Cuda	A Domain-Specific Compiler for Building GPU-Capable Physics Applications
D
Data	Accessible Content Organization for Research Needs (ACORN) Schemas
data analysis	Custom instrument control and data analysis software packages for mass spectrometry
data lifecycle	Data Lifecycle Technologies at Oak Ridge Leadership Computing Facility
data management	Data Lifecycle Technologies at Oak Ridge Leadership Computing Facility
data reduction	Software Developments for IMAGINE-X: Future Neutron Beamline using Dynamic Nuclear Polarization for Protein Crystallography
Data Software	A Survey on Data Software for Small Angle Neutron Scattering and Reflectometry
data streaming	IRI Science Applications on the Advanced Computing Ecosystem Testbed
Data Visualization	Visual Analytics Software for Machining Parameter Selection
datasets	Chemistry AI Hackathon​
decision science	NetZero-ARMADA
desktop application	Moving from Desktop to Web Application Architecture​ - Design Considerations using GARNET​
detector	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
devops	Continuous Integration (CI) and Continuous Delivery / Deployment (CD) using GitHub Actions Automated Testing and Continuous Integration for the KORC Codebase
Diffraction Scattering	SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer
diffractometer	HKL diffractometer computations as an EPICS IOC using PyDevice
Digital Twin	Automatic point Cloud Building Envelope Segmentation (Auto-CuBES) using Machine Learning Ongoing Journey to Digital Twin and Experimental Steering for Neutron Diffraction at ORN
Digital Twins	A Digital Twin Framework for Liquid-Cooled Supercomputers
discontinuous Galerkin	Adaptive Sparse Grid Discretization - ASGarD
Distributed Deep Learning Training	Scalable, energy-efficient training of graph neural networks for accurate and stable predictions of atomistic properties
documented safety analysis	Rapid Radiological Calculations for New Nuclear Facility Design
drtsans	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
DSL	Accessible Content Organization for Research Needs (ACORN) Schemas
DSP	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
Dynamic Graph	Fusion Graph Neural Networks (FuGNN): a GNN-based framework for dynamic graph representation learning
dynamic nuclear polarization	Software development for the IMAGINE-X experiment to enable neutron crystallography with dynamic-nuclear polarization
E
earth observation	Exploring Vision Transformers on The Frontier Supercomputer for Remote Sensing and Geoscientific Applications
ecosystem	INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
Energy Efficiency	A Digital Twin Framework for Liquid-Cooled Supercomputers
energy transition	NetZero-ARMADA
environmental systems	NetZero-ARMADA
EPICS	HKL diffractometer computations as an EPICS IOC using PyDevice
experimental steering	Ongoing Journey to Digital Twin and Experimental Steering for Neutron Diffraction at ORN
F
fortran	Efficient and portable tensor contractions using NTCL
foundation model	Exploring Vision Transformers on The Frontier Supercomputer for Remote Sensing and Geoscientific Applications
FPGA	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
framework	INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
frameworks	ACTIVE: the Automated Control Testbed for Integration Verification and Emulation
Frontier	Scalable GPU sort on Frontier with Chapel
Fusion	Automated Testing and Continuous Integration for the KORC Codebase Green Energy Solutions: Fusion and Solar
G
Galaxy	Developing Interactive Neutron Science Applications using Galaxy
geometric search	ArborX: a performance portable geometric search library
github	Automated Testing and Continuous Integration for the KORC Codebase
global optimizer	pyGlobOpt: Adaptive Learning Global Optimization and Reaction Pathways Search
GNU Parallel	Scientific Workflows at Scale using GNU Parallel
GPU	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity Scalable GPU sort on Frontier with Chapel A Domain-Specific Compiler for Building GPU-Capable Physics Applications
Graph Neural Networks	Fusion Graph Neural Networks (FuGNN): a GNN-based framework for dynamic graph representation learning Scalable, energy-efficient training of graph neural networks for accurate and stable predictions of atomistic properties
Graph Representation Learning	Fusion Graph Neural Networks (FuGNN): a GNN-based framework for dynamic graph representation learning
Green Energy	Green Energy Projects: GITR and EMT_AGILE Green Energy Solutions: Fusion and Solar
gui	Smart Spectral Matching
H
heat transport	Software for insight into metal additive manufacturing processing conditions and microstructure development
heterogeneous computing	Distributed Workflows Automation at OLCF with Zambeze and Flowcept
Heterogeneous Systems	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
High -Performance Computing	Scalable, energy-efficient training of graph neural networks for accurate and stable predictions of atomistic properties
high performance computing	Taking Open MPI to New Frontiers Cabana: a scalable and performance portable particle library A Digital Twin Framework for Liquid-Cooled Supercomputers Efficient and portable tensor contractions using NTCL
high-dimensional PDEs	Adaptive Sparse Grid Discretization - ASGarD
High-performance Computing	Automatic Building Energy Modeling (AutoBEM) and its Model America dataset – background, capabilities, and discussion
hot cells	Rapid Radiological Calculations for New Nuclear Facility Design
HPC	Green Energy Projects: GITR and EMT_AGILE NDIP: Interactive Tooling ArborX: a performance portable geometric search library Scientific Workflows at Scale using GNU Parallel Kokkos Tutorial Automated Testing and Continuous Integration for the KORC Codebase Scalable GPU sort on Frontier with Chapel JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language
humans	NetZero-ARMADA
I
infrastructure	IRI Science Applications on the Advanced Computing Ecosystem Testbed
instrument control	Custom instrument control and data analysis software packages for mass spectrometry
Interactive tools	Developing Interactive Neutron Science Applications using Galaxy
INTERSECT	Live Simulation Feedback Additive Manufacturing using INTERSECT INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
introduction	An Introduction to Trame for NDIP
irradiation	Rapid Radiological Calculations for New Nuclear Facility Design
J
JACC	JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language
JACC.jl	Performance portable CPU/GPU code with Julia and JACC.jl
Julia	Performance portable CPU/GPU code with Julia and JACC.jl JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language
Just-In-Time	JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language
K
Kokkos	Cabana: a scalable and performance portable particle library
L
large-scale	Green Energy Projects: GITR and EMT_AGILE
libfabric	Taking Open MPI to New Frontiers
library	Smart Spectral Matching INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
light sources	IRI Science Applications on the Advanced Computing Ecosystem Testbed
LLVM	JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language A Domain-Specific Compiler for Building GPU-Capable Physics Applications
M
machine learning	Introduction to Scientific Machine Learning Fusion Graph Neural Networks (FuGNN): a GNN-based framework for dynamic graph representation learning Smart Spectral Matching
Machine Learning Interatomic Potential	Role and Implementation of Uncertainty Quantification in Accelerating the Development of Machine Learning Interatomic Potentials
Machining Parameter Selection	Visual Analytics Software for Machining Parameter Selection
Mantid	SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer
mass spectrometry	Custom instrument control and data analysis software packages for mass spectrometry
Materials Science	Scalable, energy-efficient training of graph neural networks for accurate and stable predictions of atomistic properties
Message Passing Interface	Taking Open MPI to New Frontiers
messaging	INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
meta-programming	JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language
metabolomics	Custom instrument control and data analysis software packages for mass spectrometry
microservices	Live Simulation Feedback Additive Manufacturing using INTERSECT INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
microstructure	Software for insight into metal additive manufacturing processing conditions and microstructure development
midrange	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
modeling	Green Energy Projects: GITR and EMT_AGILE
Molecular modeling	Role and Implementation of Uncertainty Quantification in Accelerating the Development of Machine Learning Interatomic Potentials
molecular systems	Chemistry AI Hackathon​
monte carlo ray tracing	Ongoing Journey to Digital Twin and Experimental Steering for Neutron Diffraction at ORN
mpi	Automated Testing and Continuous Integration for the KORC Codebase
Multivariate data	Developing Efficient Multivariate Surface Uncertainty Visualization Algorithms Using VTK-m Software
N
NDIP	NDIP: Interactive Tooling An Introduction to Trame for NDIP Developing Interactive Neutron Science Applications using Galaxy
neutron	HKL diffractometer computations as an EPICS IOC using PyDevice Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
neutron diffraction	Ongoing Journey to Digital Twin and Experimental Steering for Neutron Diffraction at ORN Software Developments for IMAGINE-X: Future Neutron Beamline using Dynamic Nuclear Polarization for Protein Crystallography Software development for the IMAGINE-X experiment to enable neutron crystallography with dynamic-nuclear polarization
neutron polarization	Software development for the IMAGINE-X experiment to enable neutron crystallography with dynamic-nuclear polarization
neutron spin	Software Developments for IMAGINE-X: Future Neutron Beamline using Dynamic Nuclear Polarization for Protein Crystallography
Neutrons	SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer
nuclear facilities	Rapid Radiological Calculations for New Nuclear Facility Design
O
open data	Data Lifecycle Technologies at Oak Ridge Leadership Computing Facility
Open MPI	Taking Open MPI to New Frontiers
P
particles	Cabana: a scalable and performance portable particle library
performance portability	Performance portable CPU/GPU code with Julia and JACC.jl JACC: Leveraging HPC Meta-Programming and Performance Portability with the Jus-In-Time and LLVM - based Julia Language
Performance-portability	Kokkos Tutorial
Point Cloud Data	Automatic point Cloud Building Envelope Segmentation (Auto-CuBES) using Machine Learning
Portabliliy	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
potential energy function	Chemistry AI Hackathon​
potential energy surface	Role and Implementation of Uncertainty Quantification in Accelerating the Development of Machine Learning Interatomic Potentials
Project management	Accessible Content Organization for Research Needs (ACORN) Schemas
protein crystallography	Software Developments for IMAGINE-X: Future Neutron Beamline using Dynamic Nuclear Polarization for Protein Crystallography Software development for the IMAGINE-X experiment to enable neutron crystallography with dynamic-nuclear polarization
provenance	Distributed Workflows Automation at OLCF with Zambeze and Flowcept
python	Introduction to Scientific Machine Learning An Introduction to Trame for NDIP Live Simulation Feedback Additive Manufacturing using INTERSECT SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
Q
Quality	ORNL Software Quality Assurance (SQA) Program Requirements Awareness
quantum mechanics	Chemistry AI Hackathon​
R
radioisotopes	Rapid Radiological Calculations for New Nuclear Facility Design
reaction monitoring	Custom instrument control and data analysis software packages for mass spectrometry
Reaction pathway search	pyGlobOpt: Adaptive Learning Global Optimization and Reaction Pathways Search
reduction	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
Reflectometry	A Survey on Data Software for Small Angle Neutron Scattering and Reflectometry
research software engineering	NetZero-ARMADA
Robust and reliable	Role and Implementation of Uncertainty Quantification in Accelerating the Development of Machine Learning Interatomic Potentials
Runtime system	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
S
SANS	Implementation of the new Bio-SANS detector in drtsans, The Data Reduction Toolkit for SANS at ORNL
scattering	HKL diffractometer computations as an EPICS IOC using PyDevice
schema	Accessible Content Organization for Research Needs (ACORN) Schemas INTERSECT-SDK: Integrating Diverse Microservices Into a Single Ecosystem
science	Introduction to Scientific Machine Learning
Scientific Workflows	Scientific Workflows at Scale using GNU Parallel
security	NetZero-ARMADA
shielding	Rapid Radiological Calculations for New Nuclear Facility Design
simulation	Green Energy Projects: GITR and EMT_AGILE Live Simulation Feedback Additive Manufacturing using INTERSECT
single cell	Custom instrument control and data analysis software packages for mass spectrometry
single crystal	HKL diffractometer computations as an EPICS IOC using PyDevice
slicing	ORNL Slicer
Slingshot	Taking Open MPI to New Frontiers
Small Angle Neutron Scattering	A Survey on Data Software for Small Angle Neutron Scattering and Reflectometry
SNS	SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer
Software	ORNL Software Quality Assurance (SQA) Program Requirements Awareness SNAPRed: A Novel Approach to Data Reduction for the Highly Re-configurable SNAP Diffractometer
software engineering	Preferred Practices Through a Project Template Software Developments for IMAGINE-X: Future Neutron Beamline using Dynamic Nuclear Polarization for Protein Crystallography
Solar Power Plants	Green Energy Solutions: Fusion and Solar
spack	Automated Testing and Continuous Integration for the KORC Codebase
sparse grids	Adaptive Sparse Grid Discretization - ASGarD
standardization	Preferred Practices Through a Project Template
structural biology	Software development for the IMAGINE-X experiment to enable neutron crystallography with dynamic-nuclear polarization
Surface-based representation	Developing Efficient Multivariate Surface Uncertainty Visualization Algorithms Using VTK-m Software
Survey
Sustainability	Model America and Future Weather files development for Building Energy Simulation
T
Task-based runtime	Intelligent Runtime System (IRIS) SDK: Portable Abstractions for Extreme Heterogeneity
Template	Accessible Content Organization for Research Needs (ACORN) Schemas
testing	ACTIVE: the Automated Control Testbed for Integration Verification and Emulation
Thermo-Fluid Modeling	A Digital Twin Framework for Liquid-Cooled Supercomputers
Tooling	NDIP: Interactive Tooling
toolpathing	ORNL Slicer
Trame	An Introduction to Trame for NDIP Developing Interactive Neutron Science Applications using Galaxy
Transparency	Accessible Content Organization for Research Needs (ACORN) Schemas
U
Uncertainty Quantification	Role and Implementation of Uncertainty Quantification in Accelerating the Development of Machine Learning Interatomic Potentials
Uncertainty visualization	Developing Efficient Multivariate Surface Uncertainty Visualization Algorithms Using VTK-m Software
Unsupervised Machine Learning	Automatic point Cloud Building Envelope Segmentation (Auto-CuBES) using Machine Learning
User Experience	A Survey on Data Software for Small Angle Neutron Scattering and Reflectometry
V
Validation	Accessible Content Organization for Research Needs (ACORN) Schemas
Version control	Accessible Content Organization for Research Needs (ACORN) Schemas
virtual instrument	Ongoing Journey to Digital Twin and Experimental Steering for Neutron Diffraction at ORN
Visual Analytics	Visual Analytics Software for Machining Parameter Selection
W
Weather	Model America and Future Weather files development for Building Energy Simulation
web application	Moving from Desktop to Web Application Architecture​ - Design Considerations using GARNET​
workflows	Distributed Workflows Automation at OLCF with Zambeze and Flowcept
X
X-ray	HKL diffractometer computations as an EPICS IOC using PyDevice

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