Variational time reversal for free-energy estimation in nonequilibrium steady states

Studying the structure of systems in nonequilibrium steady states necessitates tools that quantify population shifts and associated deformations of equilibrium free-energy landscapes under persistent currents. Within the framework of stochastic thermodynamics, we establish a variant of the Kawasaki-Crooks equality that relates nonequilibrium free-energy corrections in overdamped Langevin systems to heat dissipation statistics along time-reversed relaxation trajectories computable with molecular simulation. Using stochastic control theory, we arrive at a general variational approach to evaluate the Kawasaki-Crooks equality and use it to estimate distribution functions of order parameters in specific models of driven and active matter, attaining substantial improvement in accuracy over simple perturbative methods.

Authors

Institutions

Publication Details

Journal
Physical review. E
Published
2024-08-12
DOI
https://doi.org/10.1103/physreve.110.024120
Citations
5
Primary Topic
Advanced Thermodynamics and Statistical Mechanics
Type
article
Field-Weighted Citation Impact
1.41

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Variational time reversal for free-energy estimation in nonequilibrium steady states

Jorge L. Rosa-Raíces, David T. Limmer
5 citations
Physical review. E
Advanced Thermodynamics and Statistical Mechanics
1.41
article

Variational time reversal for free-energy estimation in nonequilibrium steady states

Jorge L. Rosa-Raíces, David T. Limmer
article en
5 citations

Abstract

Studying the structure of systems in nonequilibrium steady states necessitates tools that quantify population shifts and associated deformations of equilibrium free-energy landscapes under persistent currents. Within the framework of stochastic thermodynamics, we establish a variant of the Kawasaki-Crooks equality that relates nonequilibrium free-energy corrections in overdamped Langevin systems to heat dissipation statistics along time-reversed relaxation trajectories computable with molecular simulation. Using stochastic control theory, we arrive at a general variational approach to evaluate the Kawasaki-Crooks equality and use it to estimate distribution functions of order parameters in specific models of driven and active matter, attaining substantial improvement in accuracy over simple perturbative methods.

Physical review. EVol. 110(2)
Lawrence Berkeley National Laboratory (US), Kavli Energy NanoScience Institute (US), University of California, Berkeley (US)
National Science Foundation, U.S. Department of Energy, Office of Science, Basic Energy Sciences, Advanced Scientific Computing Research
Affordable and clean energy
Openalex Percentile: Top 19%
Advanced Thermodynamics and Statistical Mechanics
1.41
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Variational time reversal for free-energy estimation in nonequilibrium steady states — Jorge L. Rosa-Raíces, David T. Limmer · Physical review. E (2024) | TGRS Research Map | TGRS