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HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python.

Morten LedumManuel CarrerSamiran SenXinmeng LiMichele CascellaSigbjørn Løland Bore
Published in: J. Open Source Softw. (2023)
Keyphrases
  • massively parallel
  • molecular dynamics
  • high performance computing
  • fine grained
  • parallel computing
  • molecular dynamics simulations
  • parallel machines
  • software engineering
  • data processing
  • scientific data