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"Uncertainty-driven dynamics for active learning of interatomic potentials."
Maksim Kulichenko et al. (2023)
- 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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