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Automated parameterization of intermolecular pair potentials using global optimization techniques.

Andreas KrämerMarco HülsmannThorsten KöddermannDirk Reith
Published in: Comput. Phys. Commun. (2014)
Keyphrases
  • semi automated
  • neural network
  • computer assisted
  • fully automated
  • real time
  • data sets
  • databases
  • pairwise
  • higher order
  • high order