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Computing Molecular Potential Energy Surface with DIET.

Emmanuel JeannotGerald Monard
Published in: ITCC (1) (2005)
Keyphrases
  • three dimensional
  • d objects
  • van der waals
  • energy minimization
  • neural network
  • smooth surfaces
  • total energy
  • multiscale
  • free form
  • surface points
  • shape index