MULTIPARTICLE MONTE-CARLO MOVES - ALGORITHM FOR SOLIDS WITH FREE-ENERGY DETERMINATION

被引：3
|
作者：
SINGER, SJ
机构：
[1] Department of Chemistry, Ohio State University, Columbus
来源：
COMPUTER PHYSICS COMMUNICATIONS | 1990年 / 59卷 / 03期
关键词：
D O I：
10.1016/0010-4655(90)90088-I
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
Multiparticle Monte Carlo moves can be conveniently implemented for the simulation of hard-core solids, and are shown to significantly reduce computer time. A method for the calculation of the free energy with fully vectorized sampling is also presented. We discuss how the algorithm can be generalized to treat systems with continuous interactions and, possibly, less translational order than crystals. © 1990.
引用
收藏
页码：463 / 470
页数：8
相关论文
共 50 条
  • [1] FREE-ENERGY OF SOLIDS AND DENSE LIQUIDS BY THE MONTE-CARLO PERTURBATION METHOD
    MON, KK
    [J]. PHYSICAL REVIEW A, 1985, 31 (04): : 2725 - 2727
  • [2] METROPOLIS MONTE-CARLO SIMULATION OF FLUIDS WITH MULTIPARTICLE MOVES
    CHAPMAN, W
    QUIRKE, N
    [J]. PHYSICA B & C, 1985, 131 (1-3): : 34 - 40
  • [3] MONTE-CARLO RECURSION EVALUATION OF FREE-ENERGY
    LI, ZQ
    SCHERAGA, HA
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (09): : 2633 - 2636
  • [4] MONTE-CARLO ESTIMATION OF FREE-ENERGY BY MULTISTAGE SAMPLING
    VALLEAU, JP
    CARD, DN
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12): : 5457 - &
  • [5] MONTE-CARLO CALCULATION OF THE FREE-ENERGY FOR A DENSE FLUID
    MON, KK
    [J]. JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1991, 24 (11): : 2481 - 2483
  • [6] MONTE-CARLO APPROACH TO EVALUATION OF CONFIGURATIONAL FREE-ENERGY OF CHAINS
    CLARK, AT
    LAL, M
    [J]. JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1978, 11 (01): : L11 - L15
  • [7] MONTE-CARLO CALCULATIONS OF FREE-ENERGY IN THE SOLID-PHASE
    JHUNG, KS
    KUM, O
    LEE, HW
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (02): : 1470 - 1473
  • [8] MONTE-CARLO CALCULATION OF FREE-ENERGY OF SMALL MONOATOMIC CLUSTERS
    BONISSENT, A
    MUTAFTSCHIEV, B
    [J]. JOURNAL OF CRYSTAL GROWTH, 1974, 24 (OCT) : 503 - 506
  • [9] A FREE-ENERGY BASED MONTE-CARLO MINIMIZATION PROCEDURE FOR BIOMOLECULES
    VASQUEZ, M
    MEIROVITCH, E
    MEIROVITCH, H
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (38): : 9380 - 9382
  • [10] FREE-ENERGY OF SPHERES WITH DIPOLES - MONTE-CARLO WITH MULTISTAGE SAMPLING
    PATEY, GN
    VALLEAU, JP
    [J]. CHEMICAL PHYSICS LETTERS, 1973, 21 (02) : 297 - 300
12345