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The Jarzynski equality is one of the most influential results in the field of non equilibrium statistical mechanics. This celebrated equality allows to calculate equilibrium free energy differences from work distributions of nonequilibrium…

Statistical Mechanics · Physics 2017-09-13 Shahaf Asban , Saar Rahav

Applying the method from recently developed fluctuation theorems to the stochastic dynamics of single macromolecules in ambient fluid at constant temperature, we establish two Jarzynski-type equalities: (1) between the log-mean-exponential…

Statistical Mechanics · Physics 2014-11-17 Hong Qian

The nonequilibrium free energy theorems show how distributions of work along nonequilibrium paths are related to free energy differences between the equilibrium states at the end points of these paths. In this paper we develop a natural way…

Statistical Mechanics · Physics 2011-11-09 Stephen R. Williams , Debra J. Searles , Denis J. Evans

We study the dynamics of a trapped, charged Brownian particle in presence of a time dependent magnetic field. We calculate work distributions for different time dependent protocols. In our problem thermodynamic work is related to variation…

Statistical Mechanics · Physics 2009-11-13 Arnab Saha , A. M. Jayannavar

The one-dimensional (1D) $t$-$J$ model is investigated by using a Gutzwiller-Jastrow-type variation method and the exact diagonalization of small systems. Variational expectation values are estimated by the variational Monte Carlo method…

Condensed Matter · Physics 2009-10-28 Hisatoshi Yokoyama , Masao Ogata

The distribution function of relaxation times in disordered dielectrics has been calculated in the random field theory framework. For this purpose, we first consider the dynamics of single two-orientable impurity electric dipole in a random…

Materials Science · Physics 2007-05-23 V. A. Stephanovich , M. D. Glinchuk , B. Hilczer , L. Jastrabik

The connection between work and changes in the Hamiltonian for a system with a time-dependent Hamiltonian has recently been called into question, casting doubt on the usefulness of the Jarzynski equality for calculating free energy changes.…

Statistical Mechanics · Physics 2015-05-13 Eric N. Zimanyi , Robert J. Silbey

A superconducting cavity model was proposed as a way to experimentally investigate the work performed in a quantum system. We found a simple mathematical relationship between the free energy variation and visibility measurement in quantum…

We investigate the work dissipated during the irreversible unfolding of single molecules by mechanical force, using the simplest model necessary to represent experimental data. The model consists of two levels (folded and unfolded states)…

Biological Physics · Physics 2012-08-27 F. Ritort , C. Bustamante , I. Tinoco,

In this short communication, I give a very simple derivation of the Jarzynski equality, which allows to compute the free energy difference of a body, which is driven between two equilibrium states $A$ and $B$ by an external (time-dependent)…

Statistical Mechanics · Physics 2016-08-16 Frédéric Douarche

In general, the direct application of the Jarzynski equality (JE) to reconstruct potentials of mean force (PMFs) from a small number of nonequilibrium unidirectional steered molecular dynamics (SMD) paths is hindered by the lack of sampling…

Statistical Mechanics · Physics 2007-05-23 Ioan Kosztin , Bogdan Barz , Lorant Janosi

We report the results of a numerical investigation, performed in the frame of dynamical systems' theory, for a realistic model of a ionic crystal for which, due to the presence of long--range Coulomb interactions, the Gibbs distribution is…

Statistical Mechanics · Physics 2020-08-04 Andrea Carati , Luigi Galgani , Fabrizio Gangemi , Roberto Gangemi

The Jarzynski Equality is a well-known and widely used identity, relating the free energy difference between two states of a system to the work done over some arbitrary, nonequilibrium transformation between the two states. Despite being…

Statistical Mechanics · Physics 2018-12-18 Stuart J. Davie , Owen G. Jepps , Lamberto Rondoni , James C. Reid , Debra J. Searles

Given an unnormalized probability density $\pi\propto\mathrm{e}^{-V}$, estimating its normalizing constant $Z=\int_{\mathbb{R}^d}\mathrm{e}^{-V(x)}\mathrm{d}x$ or free energy $F=-\log Z$ is a crucial problem in Bayesian statistics,…

Machine Learning · Statistics 2026-05-20 Wei Guo , Molei Tao , Yongxin Chen

We revisit the paradigm of an ideal gas under isothermal conditions. A moving piston performs work on an ideal gas in a container that is strongly coupled to a heat reservoir. The thermal coupling is modelled by stochastic scattering at the…

Statistical Mechanics · Physics 2009-11-11 A. Baule , R. M. L. Evans , P. D. Olmsted

Let $(M,g)$ be a Zoll manifold, i.e., a smooth, compact, Riemannian manifold without boundary all of whose geodesics are closed with a minimal common period $T$. The positive definite Laplace-Beltrami operator has eigenvalues…

Analysis of PDEs · Mathematics 2024-07-11 Yaiza Canzani , Jeffrey Galkowski , Blake Keeler

We develop a mathematical approach to the nonequilibrium work theorem which is traditionally referred to in statistical mechanics as Jarzynski's identity. We suggest a mathematically rigorous formulation and proof of the identity.

Probability · Mathematics 2008-03-31 Evelina Shamarova

A single bit memory system is made with a brownian particle held by an optical tweezer in a double-well potential and the work necessary to erase the memory is measured. We show that the minimum of this work is close to the Landauer's bound…

Statistical Mechanics · Physics 2014-06-03 Antoine Bérut , Artyom Petrosyan , Sergio Ciliberto

Jarzynski's equality provides an elegant and powerful tool to directly compute differences in free energy in Monte Carlo simulations and it can be readily extended to lattice gauge theories to compute a large set of physically interesting…

High Energy Physics - Lattice · Physics 2018-04-18 Alessandro Nada , Michele Caselle , Marco Panero

We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is…

Strongly Correlated Electrons · Physics 2016-03-22 Ryui Kaneko , Luca F. Tocchio , Roser Valentí , Federico Becca , Claudius Gros