Wang-Landau algorithm for continuous models and joint density of states

被引:126
作者
Zhou, CG
Schulthess, TC
Torbrügge, S
Landau, DP
机构
[1] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci & Comp Sci, Oak Ridge, TN 37831 USA
[2] Oak Ridge Natl Lab, Div Math, Oak Ridge, TN 37831 USA
[3] Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA
[4] Univ Osnabruck, Fachbereich Phys, D-49076 Osnabruck, Germany
关键词
D O I
10.1103/PhysRevLett.96.120201
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states of ferromagnet Heisenberg models and a model polymer chain. The joint density of states contains more information than the density of states of a single variable-energy, but is also much more time consuming to calculate. We present strategies to significantly speed up this calculation for large systems over a large range of energy and order parameter.
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页数:4
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共 23 条
  • [1] Wang-Landau estimation of magnetic properties for the Heisenberg model
    Brown, G
    Schulthess, TC
    [J]. JOURNAL OF APPLIED PHYSICS, 2005, 97 (10)
  • [2] Performance limitations of flat-histogram methods -: art. no. 097201
    Dayal, P
    Trebst, S
    Wessel, S
    Würtz, D
    Troyer, M
    Sabhapandit, S
    Coppersmith, SN
    [J]. PHYSICAL REVIEW LETTERS, 2004, 92 (09) : 097201 - 1
  • [3] A new approach to Monte Carlo simulations in statistical physics: Wang-Landau sampling
    Landau, DP
    Tsai, SH
    Exler, M
    [J]. AMERICAN JOURNAL OF PHYSICS, 2004, 72 (10) : 1294 - 1302
  • [4] Malakis A, 2004, PHYS REV E, V70, DOI 10.1103/PhysRevE.70.066128
  • [5] Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations
    Mastny, EA
    de Pablo, JJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (12)
  • [6] Reconstructing the density of states by history-dependent metadynamics
    Micheletti, C
    Laio, A
    Parrinello, M
    [J]. PHYSICAL REVIEW LETTERS, 2004, 92 (17) : 170601 - 1
  • [7] Application of new Monte Carlo algorithms to random spin systems
    Okabe, Y
    Tomita, Y
    Yamaguchi, C
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 2002, 146 (01) : 63 - 68
  • [8] Molecular dynamics simulation of polymer helix formation using rigid-link methods
    Rapaport, DC
    [J]. PHYSICAL REVIEW E, 2002, 66 (01):
  • [9] Molecular simulation of the reversible mechanical unfolding of proteins
    Rathore, N
    Yan, QL
    de Pablo, JJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (12) : 5781 - 5788
  • [10] Density of states simulations of proteins
    Rathore, N
    Knotts, TA
    de Pablo, JJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (09) : 4285 - 4290