Related papers: Calculating the free energy difference by applying…

We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with different temperatures are exchanged during the simulation in…

We look for upper bounds of the relative energy difference of two pure quantum states with a fixed fidelity between them or upper bounds of the fidelity for a fixed relative energy difference. The results depend on the concrete families of…

We consider a time-dependent quantum linear oscillator coupled to a bath at an arbitrary strength. We then introduce a generalized Jarzynski equality (GJE) which includes the terms reflecting the system-bath coupling. This enables us to…

On the basis of a quantum mechanical analogue of the famous Feynman-Kac formula and the Kolmogorov picture, we present a novel method to derive nonequilibrium work equalities for isolated quantum systems, which include the Jarzynski…

Single molecule pulling experiments provide information about interactions in biomolecules that cannot be obtained by any other method. However, the reconstruction of the molecule's free energy profile from the experimental data is still a…

We address the problem of planning under uncertainty, where an agent must choose actions that not only achieve desired outcomes but also reduce uncertainty. Traditional methods often treat exploration and exploitation as separate…

There are two related theorems which hold even in far from equilibrium, namely fluctuation theorem and Jarzynski equality. Fluctuation theorem states the existence of symmetry of fluctuation of entropy production, while Jarzynski equality…

Population balance equation (PBE) models have potential to automate many engineering processes with far-reaching implications. In the pharmaceutical sector, crystallization model-based design can contribute to shortening excessive drug…

For a 2-dimensional freely jointed chain with 3 particles and a related model, the average and variance of the kinetic energies of each particle in thermal equilibrium are exactly obtained. The same is done for a related model. The excess…

The Free Energy Principle (FEP) states that under suitable conditions of weak coupling, random dynamical systems with sufficient degrees of freedom will behave so as to minimize an upper bound, formalized as a variational free energy, on…

We study out-of equilibrium properties of a quantum dot in a GaAs/AlGaAs two-dimensional electron gas. By means of single electron counting experiments, we measure the distribution of work and dissipated heat of the driven quantum dot and…

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…

We study thermodynamic operations which bring a nonequilibrium steady state (NESS) to another NESS in physical systems under nonequilibrium conditions. We model the system by a suitable Markov jump process, and treat thermodynamic…

We show how Jarzynski relation can be exploited to analyze the nature of order-disorder and a bifurcation type dynamical transition in terms of a response function derived on the basis of work distribution over non-equilibrium paths between…

A novel overlap histogramming method based on Dual-Topology Hamiltonian-Replica-Exchange simulation technique is presented to efficiently calculate relative free energy difference in rough energy landscape, in which multiple conformers…

This study investigates the use of the $J$-integral to compute the statistics of the energy release rate of a random elastic medium. The spatial variability of the elastic modulus is modeled as a homogeneous lognormal random field. Within…

We introduce an information free energy for thermodynamic systems driven by external time-dependent parameters. We show that the latter is a nonequilibrium state function and that it is a natural generalization of the usual equilibrium and…

This paper examines the workload distribution challenges in centralized cloud systems and demonstrates how Hybrid Edge Cloud (HEC) [1] mitigates these inefficiencies. Workloads in cloud environments often follow a Pareto distribution, where…

We discuss certain basic features of the equation-free (EF) approach to modeling and computation for complex/multiscale systems. We focus on links between the equation-free approach and tools from systems and control theory (design of…

We show that the Comment [arXiv:0808.1224] by Horowitz and Jarzynski obtains as a main result a general free energy change for a harmonic system that in the macroscopic limit does not recover the textbook expression for the energy change of…