Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics

被引：0
|
作者：
Brass, A. [1 ]
Pendleton, B.J. [1 ]
Chen, Y. [1 ]
Robson, B. [1 ]
机构：
[1] Proteus Molecular Design Limited, Proteus House, Lyme Green Business Park, Macclesfield, Cheshire SK11 OJL, United Kingdom
来源：
Biopolymers | 1993年 / 33卷 / 08期
关键词：
Hybrid Monte Carlo simulation - Molecular dynamics - Trajectory stiffness;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
下载
收藏
页码：1307 / 1315
相关论文
共 50 条
  • [31] Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations
    Yang, Kecheng
    Rozycki, Bartosz
    Cui, Fengchao
    Shi, Ce
    Chen, Wenduo
    Li, Yunqi
    PLOS ONE, 2016, 11 (05):
  • [32] Efficient hybrid non-equilibrium molecular dynamics - Monte Carlo simulations with symmetric momentum reversal
    Chen, Yunjie
    Roux, Benoit
    JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (11):
  • [33] Hybrid method coupling molecular dynamics and Monte Carlo simulations to study the properties of gases in microchannels and nanochannels
    Nedea, SV
    Frijns, AJH
    van Steenhoven, AA
    Markvoort, AJ
    Hilbers, PAJ
    PHYSICAL REVIEW E, 2005, 72 (01):
  • [34] Acceleration of Monte-Carlo Molecular Simulations on Hybrid Computing Architectures
    Braun, Claus
    Holst, Stefan
    Wunderlich, Hans-Joachim
    Castillo, Juan Manuel
    Gross, Joachim
    2012 IEEE 30TH INTERNATIONAL CONFERENCE ON COMPUTER DESIGN (ICCD), 2012, : 207 - 212
  • [35] Computer simulation of electrodeposition: hybrid of molecular dynamics and Monte Carlo
    Kaneko, Y
    Mikami, T
    Hiwatari, Y
    Ohara, K
    MOLECULAR SIMULATION, 2005, 31 (6-7) : 429 - 433
  • [36] THEORY AND ALGORITHMS FOR MIXED MONTE CARLO-STOCHASTIC DYNAMICS SIMULATIONS
    GUARNIERI, F
    JOURNAL OF MATHEMATICAL CHEMISTRY, 1995, 18 (01) : 25 - 35
  • [37] Reversible molecular dynamics for rigid bodies and hybrid Monte Carlo
    Matubayasi, N
    Nakahara, M
    JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (07): : 3291 - 3301
  • [38] Reversible molecular dynamics for rigid bodies and hybrid Monte Carlo
    Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan
    J Chem Phys, 7 (3291-3301):
  • [39] Monte Carlo simulations of opinion dynamics
    Fortunato, S
    COMPLEXITY, METASTABILITY AND NONEXTENSIVITY, 2005, 26 : 301 - 305
  • [40] Assessing and optimizing efficiency in nonequilibrium molecular dynamics/Monte Carlo simulations
    Radak, Brian
    Roux, Benoit
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
12345