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MIST: A simple and efficient molecular dynamics abstraction library for integrator development.

Iain BethuneRalf BanischElena BreitmoserAntonia B. K. CollisGordon GibbGianpaolo GobboCharles MatthewsGraeme J. AcklandBenedict J. Leimkuhler
Published in: Comput. Phys. Commun. (2019)
Keyphrases
  • molecular dynamics
  • high level
  • data mining
  • knowledge based systems
  • cost effective