A comparison of non-equilibrium molecular dynamics and NPT Monte Carlo methods for mixing properties and partial molar quantities

被引：0
|
作者：
Hafskjold, B.
Fujihara, I.
Ikeshoji, T.
机构：
来源：
Molecular Physics | / 90卷 / 06期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] A comparison of non-equilibrium molecular dynamics and NPT Monte Carlo methods for mixing properties and partial molar quantities
    Hafskjold, B
    Fujihara, I
    Ikeshoji, T
    MOLECULAR PHYSICS, 1997, 90 (06) : 999 - 1006
  • [2] Enhanced sampling method with hybrid non-equilibrium molecular dynamics/Monte Carlo
    Suh, Donghyuk
    Chipot, Chris
    Roux, Benoit
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [3] Ion channel permeation simulated by non-equilibrium molecular dynamics calibrated by equilibrium Monte Carlo
    Chen, D
    Kuang, ZF
    Boda, D
    Eisenberg, B
    Busath, D
    Henderson, D
    BIOPHYSICAL JOURNAL, 2003, 84 (02) : 94A - 94A
  • [4] Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator
    Suh, Donghyuk
    Radak, Brian K.
    Chipot, Christophe
    Roux, Benoit
    JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (01):
  • [5] Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations
    Lim, Nathan M.
    Osato, Meghan
    Warren, Gregory L.
    Mobley, David L.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (04) : 2778 - 2794
  • [6] Efficient hybrid non-equilibrium molecular dynamics - Monte Carlo simulations with symmetric momentum reversal
    Chen, Yunjie
    Roux, Benoit
    JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (11):
  • [7] Non-equilibrium dynamics of Coulomb glass: Kinetic Monte Carlo simulation
    Terao, Takamichi
    Kono, Ai
    Takahashi, Wataru
    4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: KEEP GOING TOHOKU, 2013, 1518 : 320 - 323
  • [8] Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics-Monte Carlo simulations
    Chen, Yunjie
    Roux, Benoit
    JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (02):
  • [9] Using ensemble Monte Carlo methods to evaluate non-equilibrium Green's functions
    Ferry, David K.
    SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2023, 38 (05)
  • [10] Combined Langevin dynamics/Monte-Carlo simulations of the non-equilibrium ferrofluid remagnetization
    Berkov, D. V.
    Gorn, N.
    Stock, D.
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2004, 272 : E1281 - E1283
12345