Related papers: Temperature Steerable Flows and Boltzmann Generato…
Thermoelectricity is traditionally explained via Onsager's irreversible, flux-force framework. The coupled flows of heat and electric charge are modelled as steady-state flows, driven by the thermodynamic forces defined in terms of the…
Based on Brownian dynamics simulations, we investigate the thermodynamic signatures of non-equilibrium steady states in a confined colloidal suspensions under shear flow. Specifically, we consider a thin film consisting of charged particles…
In this paper, we define a new and broad family of vector-valued random fields called tempered operator fractional operator-stable random fields (TRF, for short). TRF is typically non-Gaussian and generalizes tempered fractional stable…
Thermophoresis is the process of particles moving along a temperature gradient in thermodynamic systems. Even though it has been studied for over 150 years, there is neither a complete theoretical description of thermophoresis in liquids…
Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome…
Sampling diverse, thermodynamically feasible molecular conformations plays a crucial role in predicting properties of a molecule. In this paper we propose to use GFlowNet for sampling conformations of small molecules from the Boltzmann…
In systems with detailed balance, the stationary distribution and the equilibrium distribution are identical, creating a clear connection between energetic and entropic quantities. Many driven systems violate detailed balance and still pose…
In this article, we propose a novel method for sampling potential functions based on noisy observation data of a finite number of observables in quantum canonical ensembles, which leads to the accurate sampling of a wide class of test…
Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…
A century ago, the foundations of equilibrium statistical mechanics were laid. For a system in equilibrium with a thermal bath, much is understood through the Boltzmann factor, exp{-H[C]/kT}, for the probability of finding the system in any…
We show that models of opinion formation and dissemination in a community of individuals can be framed within stochastic thermodynamics from which we can build a nonequilibrium thermodynamics of opinion dynamics. This is accomplished by…
Turbulent flows have historically presented formidable challenges to predictive computational modeling. Traditional numerical simulations often require vast computational resources, making them infeasible for numerous engineering…
Starting at the mesoscopic level with a general formulation of stochastic thermodynamics in terms of Markov jump processes, we identify the scaling conditions that ensure the emergence of a (typically nonlinear) deterministic dynamics and…
We apply the stochastic thermodynamics formalism to describe the dynamics of systems of complex Langevin and Fokker-Planck equations. We provide in particular a simple and general recipe to calculate thermodynamical currents, dissipated and…
Gaseous flows show a diverse set of behaviors on different characteristic scales. Given the coarse-grained modeling in theories of fluids, considerable uncertainties may exist between the flow-field solutions and the real physics. To study…
Efficient sampling from high-dimensional and multimodal unnormalized probability distributions is a central challenge in many areas of science and machine learning. We focus on Boltzmann generators (BGs) that aim to sample the Boltzmann…
A consistent description of a shear flow, the accompanied viscous heating, and the associated entropy balance is given in the framework of a deterministic dynamical system, where a multibaker dynamics drives two fields: the velocity and the…
A general thermodynamic treatment of dissipative relativistic fluids is introduced, where the temperature four vector is not parallel to the velocity field of the fluid. Generic stability and kinetic equilibrium points out a particular…
A simple and efficient one-dimensional discrete Boltzmann method is developed for compressible flows with tunable specific heat ratios by incorporating extra degrees of freedom. To guarantee Galilean invariance in numerical simulations, a…
In analogy with similar effects in adiabatic compressible fluid dynamics, the effects of buoyancy gradients on incompressible stratified flows are said to be `thermal'. The thermal rotating shallow water (TRSW) model equations contain three…