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

摘要

We provide an algorithm based on weighted-ensemble (WE) methods, to accurately sample systems at steadynstate. Applying our method to different one- and two-dimensional models, we succeed in calculating steady-statenprobabilities of order 10−300 and reproduce the Arrhenius law for rates of order 10−280. Special attention isnpayed to the simulation of nonpotential systems where no detailed balance assumption exists. For this large classnof stochastic systems, the stationary probability distribution density is often unknown and cannot be used asnpreknowledge during the simulation. We compare the algorithm’s efficiency with standard Brownian dynamicsnsimulations and the original WE method.