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Neighbor-list-free molecular dynamics on sunway TaihuLight supercomputer.
Xiaohui Duan
Ping Gao
Meng Zhang
Tingjian Zhang
Hongsong Meng
Yuxuan Li
Bertil Schmidt
Haohuan Fu
Lin Gan
Wei Xue
Guangwen Yang
Weiguo Liu
Published in:
PPoPP (2020)
Keyphrases
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molecular dynamics
high performance computing
massively parallel
molecular dynamics simulations
scientific data
fluid flow
building blocks
protein folding
database
databases
database systems
parallel computing
data generation