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Efficient molecular dynamics simulations with many-body potentials on graphics processing units.

Zheyong FanWei ChenVille VierimaaAri Harju
Published in: Comput. Phys. Commun. (2017)
Keyphrases
  • general purpose
  • graphics processing units
  • database
  • real time
  • np hard
  • software engineering
  • efficient implementation
  • molecular dynamics simulations