Search Results for author: Denghui Lu

Found 1 papers, 1 papers with code

Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning

1 code implementation1 May 2020 Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang

For 35 years, {\it ab initio} molecular dynamics (AIMD) has been the method of choice for modeling complex atomistic phenomena from first principles.

Computational Physics

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