MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE

被引:4767
|
作者
ANDERSEN, HC
机构
来源
JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 04期
关键词
D O I
10.1063/1.439486
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:2384 / 2393
页数:10
相关论文
共 50 条
  • [31] CONSTANT-TEMPERATURE CONSTANT-PRESSURE MOLECULAR-DYNAMICS CALCULATIONS FOR MOLECULAR-SOLIDS - APPLICATION TO SOLID NITROGEN AT HIGH-PRESSURE
    NOSE, S
    KLEIN, ML
    PHYSICAL REVIEW B, 1986, 33 (01): : 339 - 342
  • [32] CONSTANT PRESSURE MOLECULAR-DYNAMICS SIMULATIONS OF THE 2DR-12 SYSTEM - COMPARISON WITH ISOCHORES AND ISOTHERMS
    BROUGHTON, JQ
    GILMER, GH
    WEEKS, JD
    JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (10): : 5128 - 5132
  • [33] MOLECULAR-DYNAMICS AND QUANTUM MOLECULAR-DYNAMICS SIMULATIONS ON PARALLEL ARCHITECTURES
    VASHISHTA, P
    KALIA, RK
    NAKANO, A
    YU, J
    INTERNATIONAL JOURNAL OF MODERN PHYSICS C-PHYSICS AND COMPUTERS, 1994, 5 (02): : 281 - 283
  • [34] FIRST-PRINCIPLE CONSTANT-PRESSURE MOLECULAR-DYNAMICS
    BERNASCONI, M
    CHIAROTTI, GL
    FOCHER, P
    SCANDOLO, S
    TOSATTI, E
    PARRINELLO, M
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1995, 56 (3-4) : 501 - 505
  • [35] MOLECULAR-DYNAMICS AT A CONSTANT PH
    MERTZ, JE
    PETTITT, BM
    INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCE COMPUTING, 1994, 8 (01): : 47 - 53
  • [36] REMARKS ON CONSTANT-TEMPERATURE MOLECULAR-DYNAMICS WITH MOMENTUM CONSERVATION
    MARTYNA, GJ
    PHYSICAL REVIEW E, 1994, 50 (04) : 3234 - 3236
  • [37] ERGODICITY AND DYNAMIC PROPERTIES OF CONSTANT-TEMPERATURE MOLECULAR-DYNAMICS
    CHO, K
    JOANNOPOULOS, JD
    PHYSICAL REVIEW A, 1992, 45 (10): : 7089 - 7097
  • [38] Pressure-transmitting boundary conditions for molecular-dynamics simulations
    Schäfer, C
    Urbassek, HM
    Zhigilei, LV
    Garrison, BJ
    COMPUTATIONAL MATERIALS SCIENCE, 2002, 24 (04) : 421 - 429
  • [39] MOLECULAR-DYNAMICS SIMULATIONS OF DESORPTION
    JANSEN, APJ
    SURFACE SCIENCE, 1992, 272 (1-3) : 193 - 197
  • [40] MOLECULAR-DYNAMICS SIMULATIONS IN BIOLOGY
    KARPLUS, M
    PETSKO, GA
    NATURE, 1990, 347 (6294) : 631 - 639