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We derive the optimal estimates of the free energies of an arbitrary number of thermodynamic states from nonequilibrium work measurements; the work data are collected from forward and reverse switching processes and obey a fluctuation…

Statistical Mechanics · Physics 2009-11-11 Paul Maragakis , Martin Spichty , Martin Karplus

Nonequilibrium, ``fast switching'' estimates of equilibrium free energy differences, Delta F, are often plagued by poor convergence due to dissipation. We propose a method to improve these estimates by generating trajectories with reduced…

Statistical Mechanics · Physics 2009-11-13 Suriyanarayanan Vaikuntanathan , Christopher Jarzynski

We develop a fluctuation framework to quantify the free energy difference between two equilibrium states connected by nonequilibrium processes under arbitrary dynamics and system-environment coupling. For an open system described by the…

Statistical Mechanics · Physics 2025-12-15 Mohammad Rahbar , Christopher J. Stein

Work is a process-based quantity, and its measurement typically requires interaction with a measuring device multiple times. While classical systems allow for non-invasive and accurate measurements, quantum systems present unique challenges…

Quantum Physics · Physics 2025-06-17 Giulia Rubino , Karen V. Hovhannisyan , Paul Skrzypczyk

We consider the paradigm of an overdamped Brownian particle in a potential well, which is modulated through an external protocol, in the presence of stochastic resetting. Thus, in addition to the short range diffusive motion, the particle…

Statistical Mechanics · Physics 2020-03-25 Deepak Gupta , Carlos A. Plata , Arnab Pal

Five previously unknown inequalities relating equilibrium free energy differences and non-equilibrium work fluctuations are derived, and lucid path to derivation of many similar inequalities is presented. These results are based upon…

Statistical Mechanics · Physics 2011-05-24 Alexander Davydov

Non-equilibrium path integral methods for computing quantum free energy differences are applied to a quantum particle trapped in a harmonic well of uniformly changing strength with the purpose of establishing the convergence properties of…

Statistical Mechanics · Physics 2009-11-13 Ramses van Zon , Lisandro Hernandez de la Pena , Gilles H. Peslherbe , Jeremy Schofield

From the perspective of quantum thermodynamics, realisable measurements cost work and result in measurement devices that are not perfectly correlated with the measured systems. We investigate the consequences for the estimation of work in…

Quantum Physics · Physics 2019-11-05 Tiago Debarba , Gonzalo Manzano , Yelena Guryanova , Marcus Huber , Nicolai Friis

While optimal control theory offers effective strategies for minimizing energetic costs in noisy microscopic systems over finite durations, a significant opportunity lies in exploiting the temporal structure of non-equilibrium forces. We…

Statistical Mechanics · Physics 2025-04-10 Kristian Stølevik Olsen , Rémi Goerlich , Yael Roichman , Hartmut Löwen

Fluctuation theorems, which have been developed over the past 15 years, have resulted in fundamental breakthroughs in our understanding of how irreversibility emerges from reversible dynamics, and have provided new statistical mechanical…

Statistical Mechanics · Physics 2015-05-13 E. M. Sevick , R. Prabhakar , Stephen R. Williams , Debra J. Searles

We present a generalization of Jarzynski's Equality, applicable to quantum systems, relating discretized mechanical work and free-energy changes. The theory is based on a step-wise pulling protocol. We find that work distribution functions…

Quantum Physics · Physics 2012-09-21 Van A. Ngo , Stephan Haas

We investigate thermodynamics of general nonequilibrium processes stopped at stochastic times. We propose a systematic strategy for constructing fluctuation-theorem-like martingales for each thermodynamic functional, yielding a family of…

Statistical Mechanics · Physics 2023-06-02 Haoran Yang , Hao Ge

In a stochastic heat engine driven by a cyclic non-equilibrium protocol, fluctuations in work and heat give rise to a fluctuating efficiency. Using computer simulations and tools from large deviation theory, we have examined these…

Statistical Mechanics · Physics 2014-10-27 Todd R. Gingrich , Grant M. Rotskoff , Suriyanarayanan Vaikuntanathan , Phillip L. Geissler

We describe a strategy to improve the efficiency of free energy estimates by reducing dissipation in nonequilibrium Monte Carlo simulations. This strategy generalizes the targeted free energy perturbation approach [Phys. Rev. E. 65, 046122,…

Statistical Mechanics · Physics 2015-05-27 Suriyanarayanan Vaikuntanathan , Christopher Jarzynski

Systematic inaccuracy is inherent in any computational estimate of a non-linear average, due to the availability of only a finite number of data values, N. Free energy differences (DF) between two states or systems are critically important…

Computational Physics · Physics 2009-11-07 Daniel M. Zuckerman , Thomas B. Woolf

Fluctuation theorems are fundamental extensions of the second law of thermodynamics for small nonequilibrium systems. While work and heat are equally important forms of energy exchange, fluctuation relations have not been experimentally…

Statistical Mechanics · Physics 2022-02-24 Markus Rademacher , Michael Konopik , Maxime Debiossac , David Grass , Eric Lutz , Nikolai Kiesel

Quantum work fluctuation theorem (FT) commonly requires the system initially prepared in an equilibrium state. Whether there exists universal exact quantum work FT for initial state beyond equilibrium needs further discussions. Here, I…

Statistical Mechanics · Physics 2024-01-12 Bao-Ming Xu

When a thermally isolated system performs a driving process in the quasistatic regime, its variation of average energy is equal to its quasistatic work. Even though presenting this simple definition, few attempts have been made to describe…

Statistical Mechanics · Physics 2025-02-17 Pierre Nazé

Work is one of the most basic notion in statistical mechanics, with work fluctuation theorems being one central topic in nanoscale thermodynamics. With Hamiltonian chaos commonly thought to provide a foundation for classical statistical…

Statistical Mechanics · Physics 2017-02-01 Jiawen Deng , Alvis Mazon Tan , Peter Hanggi , Jiangbin Gong

We consider a particle dragged through a medium at constant temperature as described by a Langevin equation with a time-dependent potential. The time-dependence is specified by an external protocol. We give conditions on potential and…

Statistical Mechanics · Physics 2007-08-21 Marco Baiesi , Tim Jacobs , Christian Maes , Nikos S. Skantzos