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Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In this work, we introduce Thermodynamic Interpolation (TI),…

化学物理 · 物理学 2024-11-18 Selma Moqvist , Weilong Chen , Mathias Schreiner , Feliks Nüske , Simon Olsson

Generalized Probabilistic Theories (GPTs) provide a unified framework for describing probabilistic physical theories, encompassing classical and quantum theories as well as hypothetical theories beyond quantum mechanics. Since most GPTs are…

量子物理 · 物理学 2026-05-14 Koki Ono , Shun Umekawa , Hiroyasu Tajima

The thermodynamic entropy of coarse-grained (CG) models stands as one of the most important properties for quantifying the missing information during the CG process and for establishing transferable (or extendible) CG interactions. However,…

化学物理 · 物理学 2024-04-10 Jaehyeok Jin , David R. Reichman

We numerically determine the entropy for heat-conducting states, which is connected to the so-called excess heat considered as a basic quantity for steady-state thermodynamics in nonequilibrium. We adopt an efficient method to estimate the…

统计力学 · 物理学 2016-08-17 Yoshiyuki Chiba , Naoko Nakagawa

We develop an axiomatic reconstruction of thermodynamics based entirely on two primitive components: a description of what aspects of a system are observed and a reference measure that encodes the underlying descriptive convention. These…

化学物理 · 物理学 2026-01-21 Tatsuaki Tsuruyama

Quantum thermodynamics has emerged as a central field for understanding how energy conversion processes occur in microscopic systems. In these systems, effects such as coherence, entanglement, and non-Markovianity play key roles. In this…

量子物理 · 物理学 2025-12-02 J. M. Z. Choquehuanca

An ensemble of trajectories with dynamical activity and first-passage time (FPT) is considered in the context of the thermodynamics of trajectories. The relationship between the average FPT and the total change in entropy is determined,…

统计力学 · 物理学 2024-12-10 V. V. Ryazanov

We develop the stochastic approach to thermodynamics based on the stochastic dynamics, which can be discrete (master equation) continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of…

统计力学 · 物理学 2015-06-11 Tânia Tomé , Mário J. de Oliveira

It is argued that a typical many body energy eigenstate has a well defined thermodynamic entropy and that individual eigenstates possess thermodynamic characteristics analogous to those of generic isolated systems. We examine large systems…

统计力学 · 物理学 2015-05-14 J. M. Deutsch

Computer simulations have been employed in recent years to evaluate the configurational entropy changes in model glass-forming liquids. We consider two methods, both of which involve the calculation of the `intra-basin' entropy as a means…

统计力学 · 物理学 2009-10-31 Srikanth Sastry

There are three ways to conceptualize entropy: entropy as an extensive thermodynamic quantity of physical systems (Clausius, Boltzmann, Gibbs), entropy as a measure for information production of ergodic sources (Shannon), and entropy as a…

统计力学 · 物理学 2018-11-05 Stefan Thurner , Bernat Corominas-Murtra , Rudolf Hanel

This thesis investigates the connection between quantum theory, thermodynamics and information theory. Theories with structure similar to that of quantum theory are considered, mathematically described by the framework of "Generalized…

量子物理 · 物理学 2015-08-14 Marius Krumm

The extension of thermodynamic principles to active matter remains a challenge due to the non-equilibrium nature inherent to active systems. In this study, we introduce a framework to assess entropy in our minimal macroscopic experiment…

软凝聚态物质 · 物理学 2024-09-26 Francesco Romanò , Michael Riedl

We build a comprehensive methodology for the fast computation of entropy across both solid and liquid phases. The proposed method utilizes a single trajectory of molecular dynamics (MD) to facilitate the calculation of entropy, which is…

计算物理 · 物理学 2024-04-05 Qi-Jun Hong , Zi-Kui Liu

In this work the non-additive entropy is examined. It appears in isolated particle systems composed of few components. Therefore, the mixing of isolated particle systems S=S1+S2 has been studied. Two cases are considered T1=T2 and T1\leqT2,…

综合物理 · 物理学 2012-11-13 Miriam Lemanska

We review the behavior of the entropy per particle in various two-dimensional electronic systems. The entropy per particle is an important characteristic of any many body system that tells how the entropy of the ensemble of electrons…

介观与纳米尺度物理 · 物理学 2019-02-05 Y. M. Galperin , D. Grassano , V. P. Gusynin , A. V. Kavokin , O. Pulci , S. G. Sharapov , V. O. Shubnyi , A. A. Varlamov

Thermodynamics have been applied to astronomy, biology, psychology, some social systems and so on. But, various evolutions from astronomy to biology and social systems cannot be only increase of entropy. When fluctuations are magnified due…

综合物理 · 物理学 2009-10-06 Yi-Fang Chang

A general investigation is made into the intrinsic Riemannian geometry for complex systems, from the perspective of statistical mechanics. The entropic formulation of statistical mechanics is the ingredient which enables a connection…

统计力学 · 物理学 2010-08-18 B. N. Tiwari , Vinod Chandra , Subhashish Banerjee

From a new rigorous formulation of the general axiomatic foundations of thermodynamics we derive an operational definition of entropy that responds to the emergent need in many technological frameworks to understand and deploy thermodynamic…

量子物理 · 物理学 2019-11-21 Gian Paolo Beretta , Enzo Zanchini

We develop a geometric theory of phase transitions (PTs) for Hamiltonian systems in the microcanonical ensemble. This theory allows to reformulate Bachmann's classification of PTs for finite-size systems in terms of geometric properties of…

统计力学 · 物理学 2022-06-29 Loris Di Cairano