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Custom math functions for molecular dynamics.

Robert F. EnenkelBlake G. FitchRobert S. GermainFred G. GustavsonA. MartinMark P. MendellJed W. PiteraMichael PitmanAleksandr RayshubskiyFrank SuitsWilliam C. SwopeT. J. Christopher Ward
Published in: IBM J. Res. Dev. (2005)
Keyphrases
  • molecular dynamics
  • high performance computing
  • molecular dynamics simulations
  • scientific data
  • information systems
  • data processing
  • fine grained
  • load balancing
  • data generation
  • fluid flow