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A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors.

Fuyuki ShimojoTimothy CampbellRajiv K. KaliaAiichiro NakanoPriya VashishtaShuji OgataKenji Tsuruta
Published in: Future Gener. Comput. Syst. (2000)
Keyphrases
  • design space
  • molecular dynamics
  • objective function
  • search space
  • optimal solution
  • databases
  • high performance computing
  • image sequences
  • data processing
  • scientific data