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Direct anharmonic correction method by molecular dynamics.

Zhong-Li LiuRui LiXiu-Lu ZhangNuo QuLing-Cang Cai
Published in: Comput. Phys. Commun. (2017)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • molecular dynamics simulations
  • protein folding
  • fluid flow
  • distributed systems