Note: Modification of the Gay-Berne potential for improved accuracy and speed

被引:8
|
作者
Persson, Rasmus A. X. [1 ]
机构
[1] Univ Gothenburg, Dept Chem & Mol Biol, SE-41296 Gothenburg, Sweden
来源
JOURNAL OF CHEMICAL PHYSICS | 2012年 / 136卷 / 22期
关键词
GAUSSIAN MODEL POTENTIALS; MOLECULAR-INTERACTIONS;
D O I
10.1063/1.4729745
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
页数:2
相关论文
共 50 条
  • [31] Cage effects in the orientational dynamics of a Gay-Berne mesogen
    Saielli, G
    Polimeno, A
    Nordio, PL
    Bates, MA
    Luckhurst, GR
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1999, 336 : 47 - 59
  • [32] LOCATION OF THE ISOTROPIC NEMATIC TRANSITION IN THE GAY-BERNE MODEL
    DEMIGUEL, E
    RULL, LF
    CHALAM, MK
    GUBBINS, KE
    VANSWOL, F
    MOLECULAR PHYSICS, 1991, 72 (03) : 593 - 605
  • [33] Wetting of planar surfaces by a Gay-Berne liquid crystal
    Müller, EA
    Rodríguez-Ponce, I
    Oualid, A
    Romero-Enrique, JM
    Rull, LF
    MOLECULAR SIMULATION, 2003, 29 (6-7) : 385 - 391
  • [34] Carrier transport simulation in a model liquid crystalline system with the biaxial Gay-Berne potential
    Goto, Masanao
    Takezoe, Hideo
    Ishikawa, Ken
    JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (05):
  • [35] Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent
    Wu, Johnny
    Zhen, Xia
    Shen, Hujun
    Li, Guohui
    Ren, Pengyu
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (15):
  • [36] Simple shear flows of suspensions of Brownian ellipsoids interacting via the Gay-Berne potential
    Mori, N
    Semura, R
    Nakamura, K
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2001, 367 : 3233 - 3241
  • [37] Parameterization of the Gay-Berne potential for nCB and molecular dynamics simulation of 5CB
    Fukunaga, H
    Takimoto, JI
    Aoyagi, T
    Shoji, T
    Sawa, F
    Doi, M
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2001, 365 : 1695 - 1702
  • [38] Structures and correlations in ideally aligned polar Gay-Berne systems
    Longa, L
    Cholewiak, G
    Stelzer, J
    ACTA PHYSICA POLONICA B, 2000, 31 (04): : 801 - 834
  • [39] Effect of shape anisotropy on the phase diagram of the Gay-Berne fluid
    Mishra, P
    Ram, J
    EUROPEAN PHYSICAL JOURNAL E, 2005, 17 (03): : 345 - 351
  • [40] Elastic constants of Gay-Berne discotic nematic liquid crystal
    Stelzer, J
    Bates, MA
    Longa, L
    Luckhurst, GR
    LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS, 1998, 3318 : 175 - 178