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quantum mechanical charge field and classical molecular dynamics.

Len Herald V. LimAndreas B. PribilAndreas E. EllmererBernhard R. RandolfBernd M. Rode
Published in: J. Comput. Chem. (2010)
Keyphrases
  • molecular dynamics
  • quantum mechanics
  • quantum computation
  • high performance computing
  • scientific data
  • information systems