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

Journal Article · · Physical Review Letters
 [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

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; SC0018140
OSTI ID:
1461153
Alternate ID(s):
OSTI ID: 1438273
Journal Information:
Physical Review Letters, Vol. 120, Issue 21; ISSN 0031-9007
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 45 works
Citation information provided by
Web of Science

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Cited By (26)

Large Deviations Conditioned on Large Deviations II: Fluctuating Hydrodynamics journal September 2019
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science journal November 2018
Sampling rare events across dynamical phase transitions journal August 2019
Nonlinear transport coefficients from large deviation functions journal July 2019
Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations journal December 2019
Dissipation controls transport and phase transitions in active fluids: mobility, diffusion and biased ensembles journal January 2020
Multi-point nonequilibrium umbrella sampling and associated fluctuation relations journal June 2018
Effective driven dynamics for one-dimensional conditioned Langevin processes in the weak-noise limit journal January 2019
Large-deviation theory for a Brownian particle on a ring: a WKB approach journal February 2019
Large deviations and optimal control forces for hard particles in one dimension journal December 2019
Large deviations in models of growing clusters with symmetry-breaking transitions journal July 2019
Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states journal August 2019
Direct evaluation of dynamical large-deviation rate functions using a variational ansatz journal November 2019
Current fluctuations of interacting active Brownian particles journal December 2018
Optimizing active work: Dynamical phase transitions, collective motion, and jamming journal February 2019
How Dissipation Constrains Fluctuations in Nonequilibrium Liquids: Diffusion, Structure, and Biased Interactions journal November 2019
Large deviations and optimal control forces for hard particles in one dimension text January 2019
Dissipation controls transport and phase transitions in active fluids: mobility, diffusion and biased ensembles text January 2020
Large deviations in models of growing clusters with symmetry-breaking transitions. text January 2019
Current fluctuations of interacting active Brownian particles text January 2018
How dissipation constrains fluctuations in nonequilibrium liquids: Diffusion, structure and biased interactions text January 2018
Large-deviation theory for a Brownian particle on a ring: a WKB approach text January 2018
Nonlinear transport coefficients from large deviation functions text January 2018
Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states text January 2019
Large deviations conditioned on large deviations II: Fluctuating hydrodynamics text January 2019
Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations text January 2019

Figures / Tables (3)


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