"86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million ..."

Denghui Lu et al. (2021)

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DOI: 10.1016/J.CPC.2020.107624

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type: Journal Article

metadata version: 2025-11-01

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Denghui Lu, Han Wang, Mohan Chen, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang:
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. Comput. Phys. Commun. 259: 107624 (2021)

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