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Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble.

Samiran SenMorten LedumSigbjørn Løland BoreMichele Cascella
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • scientific data
  • high performance computing
  • data generation
  • databases
  • information systems
  • data analysis
  • vector field
  • protein folding