Umbrella sampling in non-equilibrium computer simulations

被引：4
|
作者：
Blaak, R [1 ]
Löwen, H [1 ]
机构：
[1] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
来源：
COMPUTER PHYSICS COMMUNICATIONS | 2005年 / 169卷 / 1-3期
关键词：
non-equilibrium; simulation; nucleation;
D O I：
10.1016/j.cpc.2005.03.017
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
We describe the application of the umbrella sampling technique well known from equilibrium Monte Carlo to dynamical, non-equilibrium simulations. This method is used specifically to calculate the nucleation barrier of Brownian Yukawa particles in a homogeneous shear flow. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：64 / 68
页数：5
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