Related papers: Comment on "Calculation of microcanonical entropy …
The aim of this paper is to use large deviation theory in order to compute the entropy of macrostates for the microcanonical measure of the shallow water system. The main prediction of this full statistical mechanics computation is the…
Using a one-parameter case as an example, we demonstrate that multicanonical simulations allow for accurate estimates of the residual combinatorial entropy of partially ordered ice. For the considered case corrections to an (approximate)…
We develop a geometric foundation of microcanonical thermodynamics in which entropy and its derivatives are determined from the geometry of phase space, rather than being introduced through an a priori ensemble postulate. Once the minimal…
In contrast to the canonical case, microcanonical thermodynamic functions can show nonanalyticities also for finite systems. In this paper we contribute to the understanding of these nonanalyticities by working out the relation between…
We introduce two simple models with nearest neighbor interactions on 3D hexagonal lattices. Each model allows one to calculate the residual entropy of ice I (ordinary ice) by means of multicanonical simulations. This gives the correction to…
A large deviation technique is used to calculate the microcanonical entropy function s(v,m) of the mean-field phi^4-model as a function of the potential energy v and the magnetization m. As in the canonical ensemble, a continuous phase…
In a recent paper [Franzosi, Physica A {\bf 494}, 302 (2018)], we have suggested to use of the surface entropy, namely the logarithm of the area of a hypersurface of constant energy in the phase space, as an expression for the thermodynamic…
Estimating vibrational entropy is a significant challenge in thermodynamics and statistical mechanics due to its reliance on quantum mechanical properties. This paper introduces a quantum algorithm designed to estimate vibrational entropy…
We propose a new recursive procedure to estimate the microcanonical density of states in multicanonical Monte Carlo simulations which relies only on measurements of moments of the energy distribution, avoiding entirely the need for energy…
I propose a new algorithm, a free energy Monte Carlo algorithm, for calculations where conventional Monte Carlo simulations struggle with ergodicity problems. The simplest version of the proposed algorithm allows for the determination of…
Given a thermodynamic process which carries a system from one equilibrium state to another, we construct a quantity whose average, over an ensemble of microscopic realizations of the process, depends only on these end states, even if at…
It has been proved for a class of mean-field and long-range systems that the concavity of the thermodynamic entropy determines whether the microcanonical and canonical ensembles are equivalent at the level of their equilibrium states, i.e.,…
Monte Carlo simulations have boosted the numerical study of several different physical systems and in particular, the canonical ensemble has been especially useful because of the existence of easy and efficient relaxation algorithms…
The optimization of neural wave functions in variational Monte Carlo crucially relies on a robust convergence criterion. While the energy variance is theoretically a definitive measure, its practical application as a primary convergence…
In order to gain a deeper understanding of complex systems and infer key information using minimal data, I classify all configurations based on classical probability, starting from the dimensions of energy and different categories of…
The microcanonical ensemble has long been a starting point for the development of thermodynamics from statistical mechanics. However, this approach presents two problems. First, it predicts that the entropy is only defined on a discrete set…
A parameter method is introduced in order to estimate the relationship among the various variables of a system in equilibrium, where the potential energy functions are incompletely known or the quantum mechanical calculations very…
We propose utilizing entropy as a diagnostic tool to distinguish between constant and dynamical dark energy models. Entropy, a measure of the system's disorder or information content, captures the complexity and evolution of the universe.…
There are many functional contexts where it is desirable to maintain a mesoscopic system in a nonequilibrium state. However, such control requires an inherent energy dissipation. In this article, we unify and extend a number of works on the…
Few parameters dependent generalised entropy includes Tsallis entropy, R{\'e}nyi entropy, Sharma-Mittal entropy, Barrow entropy, Kaniadakis entropy, etc as particular representatives. Its relation to physical systems is not always clear. In…