Related papers: Generating Generalized Distributions from Dynamica…
We propose a generalization of classical statistical mechanics which describes the behavior of dissipative systems placed in contact with a heat bath. In contrast to conventional statistical mechanics, which assigns probabilities to the…
Denoising diffusion models have become ubiquitous for generative modeling. The core idea is to transport the data distribution to a Gaussian by using a diffusion. Approximate samples from the data distribution are then obtained by…
The methods of statistical mechanics are applied to two-dimensional foams under macroscopic agitation. A new variable -- the total cell curvature -- is introduced, which plays the role of energy in conventional statistical thermodynamics.…
Nonequilibrium molecular dynamics simulations often use mechanisms called thermostats to regulate the temperature. A Hamiltonian is presented for the case of the isoenergetic (constant internal energy) thermostat corresponding to a tunable…
Quantum simulation is a highly ambitious program in cold atom research currently being pursued in laboratories worldwide. The goal is to use cold atoms in optical lattice to simulate models for unsolved strongly correlated systems, so as to…
We present a mechanism to steer the sampling diversity of denoising diffusion and flow matching models, allowing users to sample from a sharper or broader distribution than the training distribution. We build on the observation that these…
We develop the argument that the Gibbs-von Neumann entropy is the appropriate statistical mechanical generalisation of the thermodynamic entropy, for macroscopic and microscopic systems, whether in thermal equilibrium or not, as a…
Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynamics, which relies on the rapid convergence of the underlying…
Copulas, generalized estimating equations, and generalized linear mixed models promote the analysis of grouped data where non-normal responses are correlated. Unfortunately, parameter estimation remains challenging in these three…
We develop a microscopic theory of thermalisation for a thermometer coupled to a many-body bath beyond standard Markovian and Fermi-golden-rule assumptions. By modeling interaction matrix elements in the non-interacting basis as independent…
We calculate the condensate fraction and the condensate and non-condensate spatial and momentum distribution of the Bose-Hubbard model in a trap. From our results, it is evident that using approximate distributions can lead to erroneous…
A general formulation of stochastic thermodynamics is presented for open systems exchanging energy and particles with multiple reservoirs. By introducing a partition in terms of "macrostates" (e.g. sets of "microstates"), the consequence on…
We provide an introduction to molecular dynamics simulations in the context of the Kob-Andersen model of a glass. We introduce a complete set of tools for doing and analyzing the results of simulations at fixed NVE and NVT. The modular…
Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at different temperatures are used to generate a nonequilibrium…
We present a method for sampling microscopic configurations of a physical system distributed according to a canonical (Boltzmann-Gibbs) measure, with a constraint holding in average. Assuming that the constraint can be controlled by the…
Thermal fluctuations in time-dependent quantum processes are treated by a constant-temperature generalization of Wigner's formulation of quantum mechanics in phase space. To this end, quantum Nos\`e-Hoover dynamics is defined by…
This paper presents a new derivation of the Generalized Poisson distribution. This distribution provides a good fit to the evolved, counts-in-cells distribution measured in numerical simulations of hierarchical clustering from Poisson…
In the current work we consider the numerical solutions of equations of stationary states for a general class of the spatial segregation of reaction-diffusion systems with $m\geq 2$ population densities. We introduce a discrete multi-phase…
We develop a highly efficient method to numerically simulate thermal fluctuations and correlations in non-relativistic continuous bosonic one-dimensional systems. We start by noticing the equivalence of their description through the…
Extensive Monte Carlo simulations of bulk liquid para-hydrogen at a temperature T=16.5 K have been carried out using the continuous-space Worm Algorithm. Results for the momentum distribution, as well as for the kinetic energy per particle…