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cond-mat.mtrl-sci2024
Toward machine learning interatomic potentials for modeling uranium mononitride
Lorena Alzate-Vargas, Kashi N. Subedi, Nicholas Lubbers +4
Uranium mononitride (UN) is a promising accident-tolerant fuel because of its high fissile density and high thermal conductivity. In this study, we developed the first machine lear…
cond-mat.mtrl-sci2020★ 98 cited
Automated discovery of a robust interatomic potential for aluminum
Justin S. Smith, Benjamin Nebgen, Nithin Mathew +8
Accuracy of molecular dynamics simulations depends crucially on the interatomic potential used to generate forces. The gold standard would be first-principles quantum mechanics (QM…