Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models Conference Paper December, 2022
Using Cosmic Ray Muons to Assess Geological Characteristics in the Subsurface Conference Paper November, 2022
Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift ORNL Report October, 2022
ExaCA: A performance portable exascale cellular automata application for alloy solidification modeling Journal August, 2022
Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems Journal May, 2022
Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks Conference Paper March, 2022
Implementing a neural network interatomic model with performance portability for emerging exascale architectures Journal January, 2022
Current Status of the Finite-Element Fluid Solver (COFFE) within HPCMP CREATE™-AV Kestrel... Conference Paper January, 2022
