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GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms.

Chigusa KobayashiJaewoon JungYasuhiro MatsunagaTakaharu MoriTadashi AndoKoichi TamuraMotoshi KamiyaYuji Sugita
Published in: J. Comput. Chem. (2017)
Keyphrases
  • molecular dynamics
  • theoretical analysis
  • learning algorithm
  • databases
  • data warehouse
  • building blocks