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Title: Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics

Abstract

We describe a framework to reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based Monte Carlo calculations, through a transformation of the system's propagator using an approximate guiding function. This procedure importance samples the trajectories that most contribute to the large deviation function, mitigating the exponential complexity of such calculations. Here, we illustrate the method by studying driven diffusion and interacting lattice models in one and two spatial dimensions. Finally, our work offers an avenue to calculate large deviation functions for high dimensional systems driven far from equilibrium.

Authors:
 [1];  [1];  [2]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States). Division of Chemistry and Chemical Engineering
  2. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Kavli Energy NanoScience Inst., Berkeley CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1461153
Alternate Identifier(s):
OSTI ID: 1438273
Grant/Contract Number:  
AC02-05CH11231; SC0018140
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 120; Journal Issue: 21; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Ray, Ushnish, Chan, Garnet Kin-Lic, and Limmer, David T. Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.120.210602.
Ray, Ushnish, Chan, Garnet Kin-Lic, & Limmer, David T. Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics. United States. doi:10.1103/PhysRevLett.120.210602.
Ray, Ushnish, Chan, Garnet Kin-Lic, and Limmer, David T. Tue . "Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics". United States. doi:10.1103/PhysRevLett.120.210602. https://www.osti.gov/servlets/purl/1461153.
@article{osti_1461153,
title = {Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics},
author = {Ray, Ushnish and Chan, Garnet Kin-Lic and Limmer, David T.},
abstractNote = {We describe a framework to reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based Monte Carlo calculations, through a transformation of the system's propagator using an approximate guiding function. This procedure importance samples the trajectories that most contribute to the large deviation function, mitigating the exponential complexity of such calculations. Here, we illustrate the method by studying driven diffusion and interacting lattice models in one and two spatial dimensions. Finally, our work offers an avenue to calculate large deviation functions for high dimensional systems driven far from equilibrium.},
doi = {10.1103/PhysRevLett.120.210602},
journal = {Physical Review Letters},
number = 21,
volume = 120,
place = {United States},
year = {2018},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 9 works
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Figures / Tables:

FIG. 1 FIG. 1: Large deviation function for the entropy production of a driven brownian particle on a periodic potential with $v$o = 2, $f$ = 12.5. The main figure shows the functions computed with exact diagonalization (red) and DMC (black). The inset shows the fraction of correlated walkers without GDF (blue),more » or with GDF from an instanton approximation to the auxiliary process (red) or the exact auxiliary process (black).« less

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.