Related papers: Calculating the free energy difference by applying…
An expression is derived for the classical free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the…
We have experimentally checked the Jarzynski equality and the Crooks relation on the thermal fluctuations of a macroscopic mechanical oscillator in contact with a heat reservoir. We found that, independently of the time scale and amplitude…
Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to…
Based on the observation that the thermodynamic equilibrium free energy of an open quantum system in contact with a thermal environment can be understood as the difference between the free energy of the total system and that of the bare…
We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…
The Jarzynski equality (JE) is a remarkable statement relating transient irreversible processes to infinite-time free energy differences. Although twenty years old, the JE remains unfamiliar to many; nevertheless it is a robust and powerful…
We study the statistics of energy fluctuations in a three-level quantum system subject to a sequence of projective quantum measurements. We check that, as expected, the quantum Jarzynski equality holds provided that the initial state is…
We show a practical application of an well-known nonequilibrium relation, the Jarzynski equality, in quantum computation. Its implementation may open a way to solve combinatorial optimization problems, minimization of a real single-valued…
Jarzynski equality [Phys. Rev. E {\bf 56}, 5018 (1997)] is found to be valid with slight modefication for the transitions between nonequilibrium stationary states, as well as the one between equilibrium states. Also numerical results…
We present Free energy Estimators with Adaptive Transport (FEAT), a novel framework for free energy estimation -- a critical challenge across scientific domains. FEAT leverages learned transports implemented via stochastic interpolants and…
Responses of small open oscillator systems to applied external forces have been studied with the use of an exactly solvable classical Caldeira-Leggett (CL) model in which a harmonic oscillator (system) is coupled to finite $N$-body…
The special trajectory ensemble average (TEA), denoted by a subscript 0, in the Jarzynski Equality (JE) results in the Jensen inequality <R>_0 GT-EQ delta(F) for the work R done on the system, and not the thermodynamic work inequality <R>…
In this paper, we review the physical concepts of the nonequilibrium techniques for the calculation of free energies applied to magnetic systems using Monte Carlo simulations of different nonequilibrium processes. The methodology allows the…
Building on a variant of the Jarzynski equation we propose a new method to numerically determine the prior-predictive value in a Bayesian inference problem. The method generalizes thermodynamic integration and is not hampered by…
Despite the strength of Molecular Dynamics simulations in providing insights into the microscopic details of phenomenon in many fields in materials science, physics and biology, the biggest barrier is its limited timescale which is several…
We present quantum versions of the Jarzynski equality for the energy costs of information processes, namely the measurement and the information erasure. We also obtain inequalities for the energy costs of the information processes, using…
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…
Recently, Jarzynski suggested a striking thermodynamic equation that relates free energy change of a system and work done on the system during arbitrary nonequilibrium processes, which has been believed to hold irrespective of detailed…
Two identities in statistical mechanics involving entropy differences (or ratios of density of states) at constant energy are derived. The first provides a nontrivial extension of the Jarzynski equality to the microcanonical ensemble [C.…
The Jarzynski relation is a recently discovered result relating the average exponential of the work done under nonequilibrium conditions to an equilibrium free energy difference. We illustrate this remarkable relation by considering the…