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86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.
Denghui Lu
Han Wang
Mohan Chen
Jiduan Liu
Lin Lin
Roberto Car
Weinan E
Weile Jia
Linfeng Zhang
Published in:
CoRR (2020)
Keyphrases
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molecular dynamics
molecular dynamics simulations
high performance computing
scientific data
protein folding
fluid flow
database
data generation
databases
response time
resource allocation
resource management