Smoothed molecular dynamics for large step time integration

被引：0
|
作者：
Liu, Yan [1 ]
Zhang, Xiong [1 ]
Sze, K.Y. [2 ]
Wang, Min [1 ]
机构：
[1] Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China
[2] Department of Mechanical Engineering, University of Hong Kong, Hong Kong, Hong Kong
来源：
CMES - Computer Modeling in Engineering and Sciences | 2007年 / 20卷 / 03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
页码：176 / 192
相关论文
共 50 条
  • [41] Increasing the time step and efficiency of molecular dynamics simulations: Optimal solutions for equilibrium simulations or structure refinement of large biomolecules
    Stocker, U
    Juchli, D
    van Gunsteren, WF
    MOLECULAR SIMULATION, 2003, 29 (02) : 123 - 138
  • [42] A MULTIPLE-TIME-STEP MOLECULAR-DYNAMICS ALGORITHM FOR MACROMOLECULES
    HUMPHREYS, DD
    FRIESNER, RA
    BERNE, BJ
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (27): : 6885 - 6892
  • [43] MOLECULAR-DYNAMICS SIMULATION OF PARVALBUMIN WITH A MULTIPLE TIME STEP METHOD
    TELEMAN, O
    AHLSTROM, P
    JONSSON, B
    BIOPHYSICAL JOURNAL, 1985, 47 (02) : A399 - A399
  • [44] Time Integration in the Multiconfiguration Time-Dependent Hartree Method of Molecular Quantum Dynamics
    Lubich, Christian
    APPLIED MATHEMATICS RESEARCH EXPRESS, 2015, 2015 (02) : 311 - 328
  • [45] ERROR ANALYSIS OF TRUNCATED STARTING CONDITIONS IN STEP-BY-STEP TIME INTEGRATION: CONSEQUENCES FOR STRUCTURAL DYNAMICS.
    Hulbert, G.M.
    Hughes, T.J.R.
    Earthquake Engineering & Structural Dynamics, 1987, 15 (07): : 901 - 910
  • [46] Explicit time integration algorithm for fully flexible cell molecular dynamics
    Park, Shidong
    Cho, Maenghyo
    EXPERIMENTAL MECHANICS IN NANO AND BIOTECHNOLOGY, PTS 1 AND 2, 2006, 326-328 : 337 - 340
  • [47] Large time-step explicit integration method for solving problems with dominant convection
    Idelsohn, Sergio
    Nigro, Norberto
    Limache, Alejandro
    Onate, Eugenio
    COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, 2012, 217 : 168 - 185
  • [48] TIME-RESOLVED DYNAMICS IN LARGE MOLECULAR CLUSTER IONS
    LINEBERGER, WC
    PAPANIKOLAS, JM
    CAMPAGNOLA, PJ
    VORSA, V
    NADAL, M
    BUCHENAU, HK
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 358 - PHYS
  • [49] A novel sub-step composite implicit time integration scheme for structural dynamics
    Wen, W. B.
    Wei, K.
    Lei, H. S.
    Duan, S. Y.
    Fang, D. N.
    COMPUTERS & STRUCTURES, 2017, 182 : 176 - 186
  • [50] A two-step time integration method with desirable stability for nonlinear structural dynamics
    Ji, Yi
    Xing, Yufeng
    EUROPEAN JOURNAL OF MECHANICS A-SOLIDS, 2022, 94
12345