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PyThinFilm: Automated Molecular Dynamics Simulation Protocols for the Generation of Thin Film Morphologies.

Martin StroetStephen SandersonAudrey V. SanzogniSharif NadaThomas LeeBertrand CaronAlan E. MarkPaul L. Burn
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • molecular dynamics
  • thin film
  • molecular dynamics simulations
  • high performance computing
  • high density
  • short circuit
  • scientific data
  • protein folding
  • multi layer
  • fluid flow
  • neural network
  • numerical simulations