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Parallel Version of a Quantum Classical Molecular Dynamics Code for Complex Molecular and Biomolecular Systems.

Piotr BalaTerry W. ClarkPawel GrochowskiBogdan LesyngJames Andrew McCammon
Published in: PVM/MPI (1997)
Keyphrases
  • molecular dynamics
  • scientific data
  • high performance computing
  • molecular dynamics simulations
  • parallel version
  • search space
  • distributed systems
  • computer systems
  • orders of magnitude
  • parallel algorithm