DOE OSTI · 2512427
Enhancing robustness in machine-learning-accelerated molecular dynamics: A multi-model nonparametric probabilistic approach
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Quek, Ariana (ORCID:0009000438077940), Ouyang, Niuchang, Lin, Hung-Min (ORCID:0000000236933668), Delaire, Olivier (ORCID:0000000312302834), Guilleminot, Johann. 2025-03-01. Enhancing robustness in machine-learning-accelerated molecular dynamics: A multi-model nonparametric probabilistic approach. https://doi.org/10.1016/j.mechmat.2024.105237
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