Weighted-ensemble Brownian dynamics simulation: Sampling of rare events in nonequilibrium systems

被引:10
作者
Kromer, Justus A. [1 ]
Schimansky-Geier, Lutz [1 ]
Toral, Raul [2 ]
机构
[1] Humboldt Univ, Dept Phys, D-12489 Berlin, Germany
[2] CSIC UIB, IFISC, E-07122 Palma De Mallorca, Spain
来源
PHYSICAL REVIEW E | 2013年 / 87卷 / 06期
基金
巴西圣保罗研究基金会;
关键词
NOISE; FLUCTUATIONS; ALGORITHM; DENSITY; MODEL;
D O I
10.1103/PhysRevE.87.063311
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We provide an algorithm based on weighted-ensemble (WE) methods, to accurately sample systems at steady state. Applying our method to different one- and two-dimensional models, we succeed in calculating steady-state probabilities of order 10(-300) and reproduce the Arrhenius law for rates of order 10(-280). Special attention is payed to the simulation of nonpotential systems where no detailed balance assumption exists. For this large class of stochastic systems, the stationary probability distribution density is often unknown and cannot be used as preknowledge during the simulation. We compare the algorithm's efficiency with standard Brownian dynamics simulations and the original WE method.
引用
收藏
页数:11
相关论文
共 48 条
[1]   Forward flux sampling for rare event simulations [J].
Allen, Rosalind J. ;
Valeriani, Chantal ;
ten Wolde, Pieter Rein .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (46)
[2]  
[Anonymous], 1989, Noise in Nonlinear Dynamical Systems
[3]  
[Anonymous], 2000, NONLINEAR PHENOMENA, DOI [DOI 10.1007/978-94-011-4247-2, DOI 10.1007/978-94-011-4247-2_]
[4]  
[Anonymous], 1988, Introduction to Theoretical Neurobiology
[5]  
[Anonymous], FOKKER PLANCK EQUATI
[6]  
[Anonymous], P IMP ACAD TOKYO
[7]  
[Anonymous], 1995, NUMERICAL INTEGRATIO
[8]   ACCURATE ESTIMATE OF V FOR THE 3-DIMENSIONAL ISING-MODEL FROM A NUMERICAL MEASUREMENT OF ITS PARTITION-FUNCTION [J].
BHANOT, G ;
SALVADOR, R ;
BLACK, S ;
CARTER, P ;
TORAL, R .
PHYSICAL REVIEW LETTERS, 1987, 59 (07) :803-806
[9]   An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates [J].
Bhatt, Divesh ;
Bahar, Ivet .
JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (10)
[10]   Beyond Microscopic Reversibility: Are Observable Nonequilibrium Processes Precisely Reversible? [J].
Bhatt, Divesh ;
Zuckerman, Daniel M. .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (08) :2520-2527