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Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations.

Oliver T. UnkeMartin StöhrStefan GanschaThomas UnterthinerHartmut MaennelSergii KashubinDaniel AhlinMichael GasteggerLeonardo Medrano SandonasAlexandre TkatchenkoKlaus-Robert Müller
Published in: CoRR (2022)
Keyphrases
  • high quality
  • quantum mechanics
  • high accuracy
  • multiscale
  • image registration
  • highly accurate
  • simulation data
  • haptic device
  • quantum computation