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We show that the conventional Jarzynski equality does not hold for a system prepared in a microcanonical ensemble. We derive a modified equality that connects microcanonical work fluctuations to entropy production, in an analogous way to…

Statistical Mechanics · Physics 2025-01-15 L. A. Williamson

The classical Jarzynski equality establishes an exact relation between the stochastic work performed on a system driven out of thermal equilibrium and the free energy difference in a corresponding quasi-static process. This fluctuation…

Quantum Physics · Physics 2025-08-21 Konstantin Beyer , Walter T. Strunz

Most non-equilibrium processes in thermodynamics are quantified only by inequalities, however the Jarzynski relation presents a remarkably simple and general equality relating non-equilibrium quantities with the equilibrium free energy, and…

Quantum Physics · Physics 2018-04-04 T. P. Xiong , L. L. Yan , F. Zhou , K. Rehan , D. F. Liang , L. Chen , W. L. Yang , Z. H. Ma , M. Feng , V. Vedral

We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the…

Chemical Physics · Physics 2021-11-03 Kristof M. Bal

The interest in active matter stimulates the need to generalize thermodynamic description and relations to active matter systems, which are intrinsically out of equilibrium. One important example is the Jarzynski relation, which links the…

Statistical Mechanics · Physics 2023-05-31 Grzegorz Szamel

The Jarzynski equality is generalized to situations in which nonequilibrium systems are subject to a feedback control. The new terms that arise as a consequence of the feedback describe the mutual information content obtained by measurement…

Statistical Mechanics · Physics 2015-05-13 Takahiro Sagawa , Masahito Ueda

Jarzynski Equality (JE) and the thermodynamic integration method are conventional methods to calculate free energy difference (FED) between two equilibrium states with constant temperature of a system. However, a number of ensemble samples…

Statistical Mechanics · Physics 2020-09-01 Weitao Chen

Based only on classical Hamiltonian dynamics, we prove the maximum work principle in a system where macroscopic dynamical degrees of freedom are intrinsically coupled to microscopic degrees of freedom. Unlike recent identities between…

Statistical Mechanics · Physics 2015-05-26 Christian Maes , Hal Tasaki

The Jarzynski equality equates the mean of the exponential of the negative of the work (per fixed temperature) done by a changing Hamiltonian on a system, initially in thermal equilibrium at that temperature, to the ratio of the final to…

High Energy Physics - Theory · Physics 2012-07-17 Don N. Page

We study nonequilibrium work relations for a space-dependent field with stochastic dynamics (Model A). Jarzynski's equality is obtained through symmetries of the dynamical action in the path integral representation. We derive a set of exact…

Statistical Mechanics · Physics 2011-02-18 Kirone Mallick , Moshe Moshe , Henri Orland

The computation of free energy differences through an exponential weighting of out of equilibrium paths (known as the Jarzynski equality) is often used for transitions between states described by an external parameter $\lambda$ in the…

Statistical Mechanics · Physics 2015-06-25 Tony Lelievre , Mathias Rousset , Gabriel Stoltz

Jarzynski equality and related fluctuation theorems can be formulated for various setups. Such an equality was recently derived for nonunitary quantum evolutions described by unital quantum operations, i.e., for completely positive,…

Quantum Physics · Physics 2014-01-24 Alexey E. Rastegin , Karol Życzkowski

The past two decades witnessed important developments in the field of non-equilibrium statistical mechanics. Among these developments, the Jarzynski equality, being a milestone following the landmark work of Clausius and Kelvin, stands out.…

Quantum Physics · Physics 2015-06-22 Shuoming An , Jing-Ning Zhang , Mark Um , Dingshun Lv , Yao Lu , Junhua Zhang , Zhang-qi Yin , H. T. Quan , Kihwan Kim

We derive a general information-theoretic equality for a system undergoing two projective measurements separated by a general temporal evolution. The equality implies the non-negativity of the mutual information between the measurement…

Quantum Physics · Physics 2015-06-04 Vlatko Vedral

A promising method for calculating free energy differences Delta F is to generate non-equilibrium data via ``fast-growth'' simulations or experiments -- and then use Jarzynski's equality. However, a difficulty with using Jarzynski's…

Computational Physics · Physics 2007-05-23 F. Marty Ytreberg , Daniel M. Zuckerman

The free energy of glasses cannot be estimated using thermodynamic integration, as glasses are intrinsically not in equilibrium. We present numerical simulations showing that, in contrast, plausible free-energy estimates of a Kob-Andersen…

Statistical Mechanics · Physics 2021-07-07 H. A. Vinutha , Daan Frenkel

The Jarzynski equality (JE) is analyzed in regard to its validity for both quasi-static transformations in the thermodynamic limit and Hamiltonian evolutions of the work protocol. In the first case, we show that the JE holds for isothermal…

Statistical Mechanics · Physics 2020-05-15 Amilcare Porporato , Salvatore Calabrese

The Jarzynski equality (JE) provides a nonequilibrium method to measure and calculate the free energy difference (FED). Note that if two systems share the same Hamiltonian at two equilibrium states, respectively, they share the same FED…

Statistical Mechanics · Physics 2020-07-16 Liyun Zhu , Jiao Wang

The Jarzynski identity can be applied to instances when a microscopic system is pulled repeatedly but quickly along some coordinate, allowing the calculation of an equilibrium free energy profile along the pulling coordinate from a set of…

Statistical Mechanics · Physics 2015-06-11 Daun Jeong , Ioan Andricioaei

A theory for non-equilibrium systems is derived from a maximum entropy approach similar in spirit to the equilibrium theory given by Gibbs. Requiring Hamilton's principle of stationary action to be satisfied on average during a trajectory,…

Statistical Mechanics · Physics 2019-02-04 David M. Rogers , Susan B. Rempe