메뉴 건너뛰기




Volumn 11, Issue 1, 1997, Pages 35-53

Global Optima of Lennard-Jones Clusters

Author keywords

Global optimization; Lennard Jones cluster; Molecular conformation

Indexed keywords


EID: 0008485650     PISSN: 09255001     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008276425464     Document Type: Article
Times cited : (74)

References (28)
  • 1
    • 0011019820 scopus 로고    scopus 로고
    • Archimedean polyhedron structure yields a lower energy atomic cluster
    • C. Barron, S. Gomez, and D. Romero, Archimedean polyhedron structure yields a lower energy atomic cluster, Applied Mathematics Letters, Vol. 9-5(1996), pp. 75-78.
    • (1996) Applied Mathematics Letters , vol.9 , Issue.5 , pp. 75-78
    • Barron, C.1    Gomez, S.2    Romero, D.3
  • 3
    • 0347390906 scopus 로고
    • A new large-scale global optimization method and its application to Lennard-Jones problems
    • Dept. of Computer Science, University of Colorado, revised
    • R. H. Byrd, E. Eskow, and R. B. Schnabel, A new large-scale global optimization method and its application to Lennard-Jones problems, Technical Report CU-CS-630-92, Dept. of Computer Science, University of Colorado, revised 1995; also in P. M. Pardalos, D. Shalloway, G. Xue, editors, DIMACS Series in Discrete Mathematics and Theoretical Computer Science, Vol. 23, American Mathematical Society, Providence, R. I., 1996.
    • (1995) Technical Report CU-CS-630-92
    • Byrd, R.H.1    Eskow, E.2    Schnabel, R.B.3
  • 4
    • 0010834603 scopus 로고    scopus 로고
    • American Mathematical Society, Providence, R. I.
    • R. H. Byrd, E. Eskow, and R. B. Schnabel, A new large-scale global optimization method and its application to Lennard-Jones problems, Technical Report CU-CS-630-92, Dept. of Computer Science, University of Colorado, revised 1995; also in P. M. Pardalos, D. Shalloway, G. Xue, editors, DIMACS Series in Discrete Mathematics and Theoretical Computer Science, Vol. 23, American Mathematical Society, Providence, R. I., 1996.
    • (1996) DIMACS Series in Discrete Mathematics and Theoretical Computer Science , vol.23
    • Pardalos, P.M.1    Shalloway, D.2    Xue, G.3
  • 5
    • 0000999426 scopus 로고
    • A parallel build-up algorithm for global energy minimizations of molecular clusters using effective energy simulated annealing
    • T. E. Coleman, D. Shalloway, and Z. Wu, A parallel build-up algorithm for global energy minimizations of molecular clusters using effective energy simulated annealing, Journal of Global Optimization, Vol. 4(1994), pp. 171-185.
    • (1994) Journal of Global Optimization , vol.4 , pp. 171-185
    • Coleman, T.E.1    Shalloway, D.2    Wu, Z.3
  • 7
    • 0030170864 scopus 로고    scopus 로고
    • Structural optimization of Lennard-Jones clusters by a genetic algorithm
    • D. M. Deaven, N. Tit, J. R. Morris, and K. M. Ho, Structural optimization of Lennard-Jones clusters by a genetic algorithm, Chemical Physics Letters, Vol. 256(1996), pp. 195-198.
    • (1996) Chemical Physics Letters , vol.256 , pp. 195-198
    • Deaven, D.M.1    Tit, N.2    Morris, J.R.3    Ho, K.M.4
  • 8
    • 23244461455 scopus 로고
    • Non crystalline structure of argon clusters. II. Multilayer icosahedral structure of Ar(N) clusters 50 < N < 750
    • J. Farges, M. F. de Feraudy, B. Raoult, and G. Torchet, Non crystalline structure of argon clusters. II. Multilayer icosahedral structure of Ar(N) clusters 50 < N < 750, Journal of Chemical Physics, Vol. 84(1986), pp. 3491-3501.
    • (1986) Journal of Chemical Physics , vol.84 , pp. 3491-3501
    • Farges, J.1    De Feraudy, M.F.2    Raoult, B.3    Torchet, G.4
  • 9
    • 36149008975 scopus 로고
    • Some theorems on the free energies of crystal surfaces
    • C. Herring, Some theorems on the free energies of crystal surfaces, Physical Review, Vol. 82(1951), pp. 87-93.
    • (1951) Physical Review , vol.82 , pp. 87-93
    • Herring, C.1
  • 10
    • 0001968287 scopus 로고
    • Structure and dynamics of simple microclusters
    • M. R. Hoare, Structure and dynamics of simple microclusters, Advances in Chemical Physics, Vol. 40(1979), pp. 49-135.
    • (1979) Advances in Chemical Physics , vol.40 , pp. 49-135
    • Hoare, M.R.1
  • 11
    • 84916318436 scopus 로고
    • Physical cluster mechanics: Statics and energy surfaces for monatomic systems
    • M. R., Hoare and P. Pal, Physical cluster mechanics: statics and energy surfaces for monatomic systems, Advances in Physics, Vol. 20(1971), pp. 161-196.
    • (1971) Advances in Physics , vol.20 , pp. 161-196
    • Hoare, M.R.1    Pal, P.2
  • 12
    • 0000494238 scopus 로고
    • Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
    • J. D. Honeycutt and H. C. Andersen, Molecular dynamics study of melting and freezing of small Lennard-Jones clusters, Journal of Physical Chemistry, Vol. 91(1987), pp. 4950-4963.
    • (1987) Journal of Physical Chemistry , vol.91 , pp. 4950-4963
    • Honeycutt, J.D.1    Andersen, H.C.2
  • 13
    • 0000178454 scopus 로고
    • Stability of multiply-twinned particles
    • S. Ino, Stability of multiply-twinned particles, Journal of the Physical Society of Japan, Vol. 27(1969), pp. 941-953.
    • (1969) Journal of the Physical Society of Japan , vol.27 , pp. 941-953
    • Ino, S.1
  • 16
    • 0039706956 scopus 로고    scopus 로고
    • A robust gradient descent algorithm for the global optimization of Lennard-Jones clusters
    • San Diego Supercomputer Center, San Diego
    • R. H. Leary, A robust gradient descent algorithm for the global optimization of Lennard-Jones clusters, Technical Report GA-A-22514, San Diego Supercomputer Center, San Diego, 1996.
    • (1996) Technical Report GA-A-22514
    • Leary, R.H.1
  • 17
    • 0011685817 scopus 로고
    • Electron diffraction experiments on argon clusters nucleated in helium using laval nozzle beams
    • J. W. Lee and G. D. Stein, Electron diffraction experiments on argon clusters nucleated in helium using laval nozzle beams, Surface Science, Vol. 156(1985), pp. 112-120.
    • (1985) Surface Science , vol.156 , pp. 112-120
    • Lee, J.W.1    Stein, G.D.2
  • 18
    • 0000290506 scopus 로고
    • A dense non-crystallographic packing of equal spheres
    • A. L. Mackay, A dense non-crystallographic packing of equal spheres, Acta Crystallographica, Vol. 15(1962), pp. 916-918.
    • (1962) Acta Crystallographica , vol.15 , pp. 916-918
    • Mackay, A.L.1
  • 19
    • 36549100251 scopus 로고
    • Mass spectrometric evidence for icosahedral structure in large rare gas clusters: Ar, Kr, Xe
    • W. Miehle, O. Kandler, T. Leisner, and O. Echt, Mass spectrometric evidence for icosahedral structure in large rare gas clusters: Ar, Kr, Xe, Journal of Chemical Physics, Vol. 91(1989), pp. 5940-5952.
    • (1989) Journal of Chemical Physics , vol.91 , pp. 5940-5952
    • Miehle, W.1    Kandler, O.2    Leisner, T.3    Echt, O.4
  • 20
    • 0042028883 scopus 로고
    • Structure and binding of Lennard-Jones clusters: 13 ≤ N ≤ 147
    • J. A. Northby, Structure and binding of Lennard-Jones clusters: 13 ≤ N ≤ 147, Journal of Chemical Physics, Vol. 87(1987), pp. 6166-6178.
    • (1987) Journal of Chemical Physics , vol.87 , pp. 6166-6178
    • Northby, J.A.1
  • 21
    • 0000103623 scopus 로고
    • Optimization methods for computing global minima of non-convex potential energy functions
    • P.M. Pardalos, D. Shalloway and G.L. Xue, Optimization methods for computing global minima of non-convex potential energy functions, Journal of Global Optimization, Vol. 4(1994), pp. 117-133.
    • (1994) Journal of Global Optimization , vol.4 , pp. 117-133
    • Pardalos, P.M.1    Shalloway, D.2    Xue, G.L.3
  • 22
    • 0024932673 scopus 로고
    • Comparison between icosahedral, decahedral, and crystalline Lennard-Jones models containing 500 to 6000 atoms
    • B. Raoult, J. Farges, M. F. De Feraudy, and G. Torchet, Comparison between icosahedral, decahedral, and crystalline Lennard-Jones models containing 500 to 6000 atoms, Philosophical Magazine B, Vol. 60(1989), pp. 881-906.
    • (1989) Philosophical Magazine B , vol.60 , pp. 881-906
    • Raoult, B.1    Farges, J.2    De Feraudy, M.F.3    Torchet, G.4
  • 24
    • 0000542127 scopus 로고
    • Stability of face-centered cubic and icosahedral Lennard-Jones clusters
    • B. W. van de Waal, Stability of face-centered cubic and icosahedral Lennard-Jones clusters, Journal of Chemical Physics, Vol. 90(1989), pp. 3407-3408.
    • (1989) Journal of Chemical Physics , vol.90 , pp. 3407-3408
    • Van De Waal, B.W.1
  • 25
    • 0028924552 scopus 로고
    • Navigating the folding routes
    • P. Wolynes, J. Onuchic, and D. Thirumalai, Navigating the folding routes, Science, Vol. 267(1995), pp. 1619-1620.
    • (1995) Science , vol.267 , pp. 1619-1620
    • Wolynes, P.1    Onuchic, J.2    Thirumalai, D.3
  • 26
    • 0000483044 scopus 로고
    • Theoretical studies of the energetics and structure of atomic clusters
    • J. Xie, J. A. Northby, D. L. Freeman, and J. D. Doll, Theoretical studies of the energetics and structure of atomic clusters, Journal of Chemical Physics, Vol. 91(1989), pp. 612-619.
    • (1989) Journal of Chemical Physics , vol.91 , pp. 612-619
    • Xie, J.1    Northby, J.A.2    Freeman, D.L.3    Doll, J.D.4
  • 27
    • 0000696216 scopus 로고
    • Molecular conformation on the CM-5 by parallel two-level simulated annealing
    • G.L. Xue, Molecular conformation on the CM-5 by parallel two-level simulated annealing, Journal of Global Optimization, Vol. 4(1994), pp. 187-208.
    • (1994) Journal of Global Optimization , vol.4 , pp. 187-208
    • Xue, G.L.1
  • 28
    • 0000917018 scopus 로고
    • Improvement of the Northby algorithm for molecular conformation: Better solutions
    • G.L. Xue, Improvement of the Northby algorithm for molecular conformation: better solutions, Journal of Global Optimization, Vol. 4(1994), pp. 425-440.
    • (1994) Journal of Global Optimization , vol.4 , pp. 425-440
    • Xue, G.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.