Finding low energy conformations of atomic clusters using evolution strategies (original) (raw)

References

  1. Z. Bačić and R. Miller, “Molecular clusters: structure and dynamics of weakly bound systems”, J. Phys. Chem. 100, 12945–12959, 1996
    Google Scholar
  2. Cluster Ions, C. Ng. T. Baer and I. Powis (Eds.), John Wiley & Son, New York, 1993 and references therein
    Google Scholar
  3. M. Jarrold, “Drift tube studies of atomic clusters”, J. Phys. Chem. 99, 11–21, 1995
    Google Scholar
  4. M. Born and J. Oppenheimer, “Zur quantentheorie der molekeln”, Ann. d. Phys. 84, 457–484, 1927
    Google Scholar
  5. M. Hoare, “Structure and dynamics of simple microclusters”, Adv. Chem. Phys. 40, 49–135, 1979
    Google Scholar
  6. L. Wille and J. Vennik, “Computational complexity of the ground-state determination of atomic clusters”, J. Phys. A 18, L419–L422, 1985
    Google Scholar
  7. B. Hartke, “Global geometry optimization of clusters using genetic algorithms”, J. Phys. Chem. 97, 9973–9976, 1993
    Google Scholar
  8. Y. Zeiri, “Prediction of the lowest energy structure of clusters using a genetic algorithm”, Phys. Rev. E 51, R2769–R2772, 1995
    Google Scholar
  9. R. Judson, M. Colvin, J. Meza, A. Huffer and D. Gutierrez, “Do intelligent configuration search techniques outperform random search for large molecules?”, Int. J. Quant. Chem. 44, 277–290, 1992
    Google Scholar
  10. P. Tuffery, C. Etchebest, S. Hazout and R. Lavery, “A critical comparison of search algorithms applied to the optimization of protein side conformations”, J. Comput. Chem 14, 790–798, 1993
    Google Scholar
  11. W. Pullan, “Energy minimization of mixed argon-xenon microclusters using a genetic algorithm”, J. Comput. Chem. 18, 1096–1111, 1997
    Google Scholar
  12. T. Bäck and F. Hoffmeister, “Basic aspects evolution strategies”, Statistics & Computing 4, 51–63, 1994
    Google Scholar
  13. W. Brown, R. Freeman, K. Raghavachari and M. Schluter, “Covalent group IV atomic clusters”, Science 235, 860–865, 1987
    Google Scholar
  14. J. Chelikowsky, J. Phillips, M. Kamal and M. Strauss, “Surface and thermodynamic interatomic force fields for silicon clusters and bulk phases”, Phys. Rev. Lett. 62, 292–295, 1989
    Google Scholar
  15. XMol, version 1.3.1, Network Computing Services, Inc., Minneapolis MN, 1993
    Google Scholar
  16. B. Hartke, “Global geometry optimization of clusters guided by _N_-dependent model potentials”, Chem. Phys. Lett. 258, 144–148, 1996
    Google Scholar
  17. B. Bolding and H. Andersen, “Interatomic potential for silicon clusters, crystals and surfaces”, Phys. Rev. B 41, 10568–10585, 1990
    Google Scholar
  18. D. Deaven and K. Ho, “Molecular geometry optimization with a genetic algorithm”, Phy. Rev. Lett. 75, 288–291, 1995
    Google Scholar
  19. F. Stillinger and T. Weber, “Computer simulation of local order in condensed phases of silicon”, Phys. Rev. B 31, 5262–5271, 1985
    Google Scholar
  20. X. Gong, “Empirical potential studies on the structural properties of small silicon clusters”, Phys. Rev. B 47, 2329, 1993
    Google Scholar
  21. R. Judson, E. Jaeger, A. Treasurywala and M. Peterson, “Conformational searching methods for small molecules. II. genetic algorithm approach”, J. Comput. Chem 14, 1407–1414, 1993
    Google Scholar
  22. D. McGarrah and R. Judson, “Analysis of the genetic algorithm method of molecular conformation determination”, J. Comput. Chem. 14, 1385–1395, 1993
    Google Scholar
  23. R. Jones and O. Gunnarsson, “The density functional formalism, its applications and prospects”, Rev. Mod. Phy. 61, 689–746, 1989
    Google Scholar

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