86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy

Document Details

Document Type
Pub Defense Publication
Publication Date
Feb 01, 2021
Source ID
10.1016/j.cpc.2020.107624

Entities

People

  • Denghui Lu
  • Han Wang
  • Lin Lin
  • Linfeng Zhang
  • Mohan Chen
  • Roberto Car
  • Weile Jia
  • Weinan E

Organizations

  • National Natural Science Foundation of China
  • National Science Foundation
  • Office of Naval Research
  • United States Department of Energy