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Two-level parallelization of Ehrenfest force calculations in ab initio molecular dynamics simulation.

Hongjian LiShixin SunHong TangYusheng DouGlenn V. Lo
Published in: Clust. Comput. (2012)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • fluid flow
  • data mining
  • optical flow
  • distributed systems