596 citations · 924 across the 12 of their papers we have counts for
Showing 2020Show all
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cond-mat.mtrl-sci2020★ 6 cited
Atomistic Mechanism of Phase Transition in Shock Compressed Gold Revealed by Deep Potential
Bo Chen, Qiyu Zeng, Han Wang +4
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase…
physics.comp-ph2020★ 36 cited
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning
Weile Jia, Han Wang, Mohan Chen +5
For 35 years, {\it ab initio} molecular dynamics (AIMD) has been the method of choice for modeling complex atomistic phenomena from first principles. However, most AIMD application…
physics.comp-ph2020★ 242 cited
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
Denghui Lu, Han Wang, Mohan Chen +6
We present the GPU version of DeePMD-kit, which, upon training a deep neural network model using ab initio data, can drive extremely large-scale molecular dynamics (MD) simulation…