most citedInjecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties

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cs.DC2022

HPC Extensions to the OpenKIM Processing Pipeline

Daniel S. Karls, Steven M. Clark, Brendon A. Waters +2

The Open Knowledgebase of Interatomic Models (OpenKIM) is an NSF Science Gateway that archives fully functional computer implementations of interatomic models (potentials and force…