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Scalable molecular dynamics with NAMD on the Summit system.

Bilge AcunDavid J. HardyLaxmikant V. KaléKeqin LiJames C. PhillipsJohn E. Stone
Published in: IBM J. Res. Dev. (2018)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • molecular dynamics simulations
  • protein folding
  • fluid flow