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

Justus A. Kromer, Lutz Schimansky-Geier, and Raul Toral
Phys. Rev. E 87, 063311 – Published 28 June 2013

Abstract

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 10300 and reproduce the Arrhenius law for rates of order 10280. 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.

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  • Received 12 March 2013

DOI:https://doi.org/10.1103/PhysRevE.87.063311

©2013 American Physical Society

Authors & Affiliations

Justus A. Kromer1,*, Lutz Schimansky-Geier1, and Raul Toral2

  • 1Department of Physics, Humboldt-Universität zu Berlin, Newtonstr. 15, 12489 Berlin, Germany
  • 2IFISC, Instituto de Física Interdisciplinar y Sistemas Complejos, CSIC-UIB, E-07122 Palma de Mallorca, Spain

  • *Electronic address: justuskr@physik.hu-berlin.de

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Vol. 87, Iss. 6 — June 2013

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