Molecular dynamics simulations with polarizable potential models.

被引:0
|
作者
Dang, LX [1 ]
机构
[1] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
27-COMP
引用
收藏
页码:U280 / U281
页数:2
相关论文
共 50 条
  • [1] Molecular dynamics simulations with polarizable potential models
    Dang, LX
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 216 : U704 - U704
  • [2] The Implementation of Polarizable and Flexible Models in Molecular Dynamics Simulations
    Wang, Shihao
    Cann, Natalie M.
    HIGH PERFORMANCE COMPUTING SYSTEMS AND APPLICATIONS, 2010, 5976 : 76 - 98
  • [3] Simulations of water and water-chlorinated hydrocarbon liquid/liquid interfaces with polarizable potential models.
    Dang, LX
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 214 : 134 - PHYS
  • [4] Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water
    Duvail, Magali
    Martelli, Fausto
    Vitorge, Pierre
    Spezia, Riccardo
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (04):
  • [5] Polarizable Molecular Dynamics Simulations of Aqueous Dipeptides
    Kucukkal, Tugba G.
    Stuart, Steven J.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (30): : 8733 - 8740
  • [6] Scalable strategies for polarizable molecular dynamics simulations
    Piquemal, Jean-Philip
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [7] The reaction field method in molecular dynamics simulations of point-polarizable water models
    Roberts, JE
    Woodman, BL
    Schnitker, J
    MOLECULAR PHYSICS, 1996, 88 (04) : 1089 - 1108
  • [8] Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models
    Yu, Haibo
    Geerke, Daan P.
    Liu, Haiyan
    van Gunsteren, Wilfred E.
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2006, 27 (13) : 1494 - 1504
  • [9] Comparison of selected polarizable and nonpolarizable water models in molecular dynamics simulations of ice Ih
    Gladich, Ivan
    Roeselova, Martina
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (32) : 11371 - 11385
  • [10] Studies of water, aqueous solutions, and proteins using polarizable potential models.
    Rick, SW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U324 - U324