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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

Predicting how systems respond to external perturbations far from equilibrium remains a fundamental challenge across physics, chemistry, and biology. We present a unified response framework for stochastic Markov dynamics that integrates…

Statistical Mechanics · Physics 2026-05-13 Jiming Zheng , Zhiyue Lu

Stochastic thermodynamics extends the notions and relations of classical thermodynamics to small systems that experience strong fluctuations. The definitions of work and heat and the microscopically reversible condition are two key concepts…

Statistical Mechanics · Physics 2019-07-23 Geng Li , Z. C. Tu

We consider the quantum mechanical generalization of Crooks Fluctuation Theorem and Jarzynski Equality for an open quantum system. The explicit expression for microscopic work for an arbitrary prescribed protocol is obtained, and the…

Statistical Mechanics · Physics 2008-12-31 H. T. Quan , H. Dong

Stochastic dynamics in the energy representation is employed as a method to study non-equilibrium Brownian-like systems. It is shown that the equation of motion for the energy of such systems can be taken in the form of the Langevin…

Statistical Mechanics · Physics 2015-05-18 Bohdan I. Lev , Alexei D. Kiselev

Relationships are obtained expressing the breaking of spin-reversal symmetry by an external magnetic field in Gibbsian canonical equilibrium states of spin systems under specific assumptions. These relationships include an exact fluctuation…

Statistical Mechanics · Physics 2015-06-05 Pierre Gaspard

Fluctuation theorems impose constraints on possible work extraction probabilities in thermodynamical processes. These constraints are stronger than the usual second law, which is concerned only with average values. Here, we show that such…

Quantum Physics · Physics 2020-02-21 Paul Boes , Rodrigo Gallego , Nelly H. Y. Ng , Jens Eisert , Henrik Wilming

Long-ranged correlations generically exist in non-equilibrium fluid systems. In the case of a non-equilibrium steady state caused by a temperature gradient the correlations are especially long-ranged and strong. The anomalous light…

Statistical Mechanics · Physics 2016-11-23 T. R. Kirkpatrick , J. R. Dorfman , J. V. Sengers

We describe some solvable models which illustrate the Jarzynski theorem and related fluctuation theorems. We consider a charged particle in the presence of magnetic field in a two dimensional harmonic well. In the first case the centre of…

Statistical Mechanics · Physics 2015-06-25 A. M. Jayannavar , Mamata Sahoo

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

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

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

Recently there has been growing interest in extending the thermodynamic method from static configurations to dynamical trajectories. In this approach, ensembles of trajectories are treated in an analogous manner to ensembles of…

Statistical Mechanics · Physics 2016-08-23 Robert M. Turner , Thomas Speck , Juan P. Garrahan

We study nonequilibrium cascades in which fragile bound or coherent structures are formed through intermediate states rather than by direct equilibration. Motivated by light-nuclei production in relativistic heavy-ion collisions and by…

High Energy Physics - Phenomenology · Physics 2026-02-05 Takeshi Fukuyama

Generalizing response theory of open systems far from equilibrium is a central quest of nonequilibrium statistical physics. Using stochastic thermodynamics, we develop an algebraic method to study the response of nonequilibrium steady state…

Statistical Mechanics · Physics 2023-08-09 Timur Aslyamov , Massimiliano Esposito

The nonequilibrium fluctuation relation is a cornerstone of quantum thermodynamics. It is widely believed that the system-bath heat exchange obeys the famous Jarzynski-W\'{o}jcik fluctuation theorem. However, this theorem is established in…

Quantum Physics · Physics 2024-08-01 Wei Wu , Jun-Hong An

To describe the nonequilibrium states of a system we introduce a new thermodynamic parameter - the lifetime of a system. The statistical distributions which can be obtained out of the mesoscopic description characterizing the behaviour of a…

Statistical Mechanics · Physics 2007-05-23 V. V. Ryazanov , S. G. Shpyrko

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

It has been shown recently that the Jarzynski equality is generalized under nonequilibrium feedback control [T. Sagawa and M. Ueda, Phys. Rev. Lett. {\bf 104}, 090602 (2010)]. The presence of feedback control in physical systems should…

Statistical Mechanics · Physics 2013-05-29 M. Ponmurugan

Application of Jarzynski nonequilibrium work relation to free energy calculation is limited by the very slow convergence of the estimate when dissipation is high. We present a novel perturbation protocol able to improve the convergence of…

Statistical Mechanics · Physics 2008-01-03 Ognjen Perisic , Hui Lu