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Parallel implementation of the replica exchange molecular dynamics algorithm on Blue Gene/L.

Maria EleftheriouAleksandr RayshubskiyJed W. PiteraBlake G. FitchRuhong ZhouRobert S. Germain
Published in: IPDPS (2006)
Keyphrases
  • parallel implementation
  • molecular dynamics
  • theoretical analysis
  • parallel computation
  • database
  • np hard
  • message passing interface
  • parallel implementations
  • data warehouse