Fitting potential-energy surfaces: A search in the function space by directed genetic programming

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@Article{makarov:1999:fpes:sfsdGP,
  author =       "Dmitrii E. Makarov and Horia Metiu",
  title =        "Fitting potential-energy surfaces: A search in the
                 function space by directed genetic programming",
  journal =      "Journal of Chemical Physics",
  year =         "1998",
  volume =       "108",
  number =       "2",
  pages =        "590--598",
  month =        "8 " # jan,
  keywords =     "genetic algorithms, genetic programming, potential
                 energy surfaces, ab initio calculations, physics
                 computing",
  ISSN =         "0021-9606",
  DOI =          "doi:10.1063/1.475421",
  size =         "9 pages",
  abstract =     "We propose new procedures by which genetic programming
                 can be used to find the best functional form and the
                 best set of parameters to fit the energies and the
                 energy derivatives provided by ab initio calculations.
                 Our main contribution is a new procedure, which we call
                 a directed genetic search, which is more efficient and
                 more stable than a 'traditional' genetic program.",
  notes =        "See also \cite{makarov:2000:JPCA}

                 ",
}

Genetic Programming entries for Dmitrii E Makarov Horia Metiu

Citations