"Uncertainty-driven dynamics for active learning of interatomic potentials."

Maksim Kulichenko et al. (2023)

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DOI: 10.1038/S43588-023-00406-5

access: open

type: Journal Article

metadata version: 2024-06-08

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Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard A. Messerly, Sergei Tretiak, Justin S. Smith, Benjamin T. Nebgen:
Uncertainty-driven dynamics for active learning of interatomic potentials. Nat. Comput. Sci. 3(3): 230-239 (2023)

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