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A multiscale stochastic-deterministic coupling method is proposed to investigate the complex interactions between turbulent and rarefied gas flows within a unified framework. This method intermittently integrates the general synthetic…
We examine the structure of Direct Simulation Monte Carlo (DSMC)-resolved internal compression layers in rarefied micro-nozzle flows and show that their apparent parametric complexity is largely a registration and finite-thickness scaling…
The Direct Simulation Monte Carlo (DSMC) method, developed originally to calculate rarefied gas dynamical problems, is applied to continuous flow including shocks assuming that the Knudsen number is sufficiently small. In particular, we…
Dynamical systems in engineering and physics are often subject to irregular excitations that are best modeled as random. Monte Carlo simulations are routinely performed on such random models to obtain statistics on their long-term response.…
We present Generative Monte Carlo (GMC), a novel paradigm for particle transport simulation that integrates generative artificial intelligence directly into the stochastic solution of the linear Boltzmann equation. By reformulating the…
This paper introduces a new asymptotic-preserving Monte Carlo (APMC) method for simulating multi-species gas flows. This method decomposes the collision operator of the traditional APMC methods into macro and micro collision parts: the…
We develop a formalism and present an algorithm for optimization of the trial wave-function used in fixed-node diffusion quantum Monte Carlo (DMC) methods. We take advantage of a basic property of the walker configuration distribution…
We introduce the concept of directed loops in stochastic series expansion and path integral quantum Monte Carlo methods. Using the detailed balance rules for directed loops, we show that it is possible to smoothly connect generally…
The collision process is essential to the Direct Simulation Monte Carlo (DSMC) method, as it incorporates the fundamental principles of the Boltzmann and Kac stochastic equations. A series of collision algorithms, known as the…
We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…
Neutrino Direct Simulation Monte Carlo ($\nu$DSMC) is a Monte Carlo method for solving the neutrino Boltzmann equation in the early Universe, designed to track the evolution of cosmic neutrinos across a wide range of cosmological scenarios.…
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…
We introduce a `virtual-move' Monte Carlo (VMMC) algorithm for systems of pairwise-interacting particles. This algorithm facilitates the simulation of particles possessing attractions of short range and arbitrary strength and geometry, an…
Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…
We propose a novel approach called Self-Learning Hybrid Monte Carlo (SLHMC) which is a general method to make use of machine learning potentials to accelerate the statistical sampling of first-principles density-functional-theory (DFT)…
Neural surrogates for molecular scattering provide a route to continuously evaluable and differentiable direct simulation Monte Carlo (DSMC) collision kernels, but a small pointwise deflection-angle error is not sufficient evidence that a…
We present a Nested Markov chain Monte Carlo (NMC) scheme for building equilibrium averages based on accurate potentials such as density functional theory. Metropolis sampling of a reference system, defined by an inexpensive but approximate…
Monte Carlo methods are widely used in particle physics to integrate and sample probability distributions (differential cross sections or decay rates) on multi-dimensional phase spaces. We present a Neural Network (NN) algorithm optimized…
We investigate the stochastic Direct Simulation Monte Carlo method (DSMC) for numerically solving the collision-term in heavy-ion transport theories of the Boltzmann-Uehling-Uhlenbeck (BUU) type. The first major modification we consider is…
Latent state space systems are ubiquitous in statistical modelling, arising naturally when a time series is observed through a noisy measurement function, however training deep state space models (DSSM) at scale remains difficult. Two…