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Optimizing the performance of reactive molecular dynamics simulations for many-core architectures.

Hasan Metin AktulgaChris KnightPaul K. CoffmanKurt A. O'HearnTzu-Ray ShanWei Jiang
Published in: Int. J. High Perform. Comput. Appl. (2019)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • subsumption architecture
  • database
  • databases
  • building blocks
  • theoretical analysis