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Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System.

Kylee SantosStan G. MooreTomas OppelstrupAmirali SharifianIlya SharapovAidan P. ThompsonDelyan Z. KalchevDanny PerezRobert SchreiberScott PakinEdgar A LeonJames H. Laros IIIMichael JamesSivasankaran Rajamanickam
Published in: CoRR (2024)
Keyphrases
  • molecular dynamics
  • high performance computing
  • protein folding
  • molecular dynamics simulations
  • massively parallel
  • scientific data
  • fluid flow
  • data analysis
  • data generation