Genetic programming for multitimescale modeling

Created by W.Langdon from gp-bibliography.bib Revision:1.3872

@Article{Sastry:2005:PhyRevB,
  author =       "Kumara Sastry and D. D. Johnson and 
                 David E. Goldberg and Pascal Bellon",
  title =        "Genetic programming for multitimescale modeling",
  journal =      "Physical Review B",
  year =         "2005",
  volume =       "72",
  number =       "085438",
  keywords =     "genetic algorithms, genetic programming",
  URL =          "http://arxiv.org/pdf/cond-mat/0405415v1.pdf",
  DOI =          "doi:10.1103/PhysRevB.72.085438",
  abstract =     "A bottleneck for multitimescale thermally activated
                 dynamics is the computation of the potential energy
                 surface. We explore the use of genetic programming GP
                 to symbolically regress a mapping of the saddlepoint
                 barriers from only a few calculated points via
                 molecular dynamics, thereby avoiding explicit
                 calculation of all barriers. The GP-regressed barrier
                 function enables use of kinetic Monte Carlo to simulate
                 real-time kinetics seconds to hours based upon
                 realistic atomic interactions. To illustrate the
                 concept, we apply a GP regression to vacancy-assisted
                 migration on a surface of a concentrated binary alloy
                 from both quantum and empirical potentials and predict
                 the diffusion barriers within 0.1percent error from
                 3percent or less of the barriers. We discuss the
                 significant reduction in CPU time 4 to 7 orders of
                 magnitude, the efficacy of GP over standard regression,
                 e.g., polynomial, and the independence of the method on
                 the type of potential.",
  notes =        "Chosen as focused article of frontier research in
                 Virtual Journal of Nanoscale Science & Technology, Vol
                 12, Issue 9 (2005).
                 http://scitation.aip.org/dbt/dbt.jsp?KEY=VIRT01&Volume=12&Issue=9

                 1Department of Materials Science & Engineering,
                 University of Illinois Urbana-Champaign, Urbana,
                 Illinois 61801, USA 2Department of General Engineering,
                 University of Illinois Urbana-Champaign, Urbana,
                 Illinois 61801, USA 3Fredrick Seitz Materials Research
                 Laboratory, University of Illinois Urbana-Champaign,
                 Urbana, Illinois 61801, USA PACS numbers: 68.35.Fx,
                 02.60.x, 02.70.Wz, 31.50.x arXiv:cond-mat/0405415v1",
}

Genetic Programming entries for Kumara Sastry Duane D Johnson David E Goldberg Pascal Bellon

Citations