Polarizable force fields for Monte Carlo and molecular dynamics simulations

被引：0
|
作者：
Jordan, Kenneth D.
DeFusco, Albert A., III
Jiang, Hao
机构：
[1] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA
[2] Univ Pittsburgh, Ctr Mol & Mat Simulat, Pittsburgh, PA 15260 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 232卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
103-IEC
引用
收藏
页码：922 / 922
页数：1
相关论文
共 50 条
  • [11] Published force field parameters for molecular mechanics, molecular dynamics, and Monte Carlo simulations
    Jalaie, M
    Lipkowitz, KB
    REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 14, 2000, 14 : 441 - 486
  • [12] Towards polarizable molecular dynamics simulations on biologically meaningful timescales: matching additive and polarizable force fields for multiscale simulation
    Baker, C.
    FEBS JOURNAL, 2012, 279 : 531 - 531
  • [13] PHYS 238-Monte Carlo simulations using polarizable force fields: From atmospheric nucleation to aqueous solvation
    Siepmann, J. Ilja
    Chen, Bin
    Eggimann, Becky L.
    Maerzke, Katie A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237
  • [14] Force fields and molecular dynamics simulations
    Gonzalez, M. A.
    NEUTRONS ET SIMULATIONS, JDN 18, 2010, : 169 - 200
  • [15] Polarizable Force Fields for Protein Simulations
    Kaminski, George
    BIOPHYSICAL JOURNAL, 2009, 96 (03) : 601A - 602A
  • [16] Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States
    Guareschi, Riccardo
    Zulfikri, Habiburrahman
    Daday, Csaba
    Floris, Franca Maria
    Amovilli, Claudio
    Mennucci, Benedetta
    Filippi, Claudia
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (04) : 1674 - 1683
  • [17] Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations
    Schwoerer, Magnus
    Breitenfeld, Benedikt
    Troester, Philipp
    Bauer, Sebastian
    Lorenzen, Konstantin
    Tavan, Paul
    Mathias, Gerald
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (24):
  • [18] Monte Carlo simulations of polarizable liquid water.
    Mahoney, MW
    Jorgensen, WL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 218 : U374 - U374
  • [19] Analyzing biased Monte Carlo and molecular dynamics simulations
    Bartels, C
    CHEMICAL PHYSICS LETTERS, 2000, 331 (5-6) : 446 - 454
  • [20] Efficiency in nonequilibrium molecular dynamics Monte Carlo simulations
    Radak, Brian K.
    Roux, Benoit
    JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (13):
12345