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We are developing a framework for multiscale computation which enables models at a ``microscopic'' level of description, for example Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators, to perform modelling tasks at…

Dynamical Systems · Mathematics 2007-05-23 A. J. Roberts , I. G. Kevrekidis

We are developing a framework for multiscale computation which enables models at a ``microscopic'' level of description, for example Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators, to perform modelling tasks at the…

Dynamical Systems · Mathematics 2007-05-23 A. J. Roberts , I. G. Kevrekidis

The multiscale gap-tooth scheme is built from given microscale simulations of complicated physical processes to empower macroscale simulations. By coupling small patches of simulations over unsimulated physical gaps, large savings in…

Dynamical Systems · Mathematics 2014-04-28 Meng Cao , A. J. Roberts

A range of percolation models of cluster systems of composites is discussed. In the models the parameters of the clusters of a substance and inner boundaries were obtained by the Monte Carlo method, and the possibility of affecting the…

Materials Science · Physics 2017-08-18 Alexander Herega

We study the simulation of charged systems in the presence of general boundary conditions in a local Monte Carlo algorithm based on a constrained electric field. We firstly show how to implement constant-potential, Dirichlet, boundary…

Statistical Mechanics · Physics 2009-11-13 L. Levrel , A. C. Maggs

The application of suitable numerical boundary conditions for hyperbolic conservation laws on domains with complex geometry has become a problem with certain difficulty that has been tackled in different ways according to the nature of the…

Numerical Analysis · Mathematics 2025-01-29 Antonio Baeza , Pep Mulet , David Zorío

We explore the gap-tooth method for multiscale modeling of systems represented by microscopic physics-based simulators, when coarse-grained evolution equations are not available in closed form. A biased random walk particle simulation,…

Classical Physics · Physics 2009-11-10 C. William Gear , Ju Li , Ioannis G. Kevrekidis

The multiscale gap-tooth scheme uses a given microscale simulator of complicated physical processes to enable macroscale simulations by computing only only small sparse patches. This article develops the gap-tooth scheme to the case of…

Dynamical Systems · Mathematics 2014-05-29 Meng Cao , A. J. Roberts

The test particle Monte-Carlo models for neutral particles are often used in the tokamak edge modelling codes. The drawback of this approach is that the self-consistent solution suffers from random error introduced by the statistical…

Plasma Physics · Physics 2017-04-19 Vladislav Kotov

We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…

Soft Condensed Matter · Physics 2009-11-10 Joerg Rottler , A. C. Maggs

The Monte Carlo method is a thriving and mathematically beautiful numerical technique used extensively, nowadays, to deal with many demanding problems in diverse fields. Here, we present an iterative Monte Carlo algorithm to work out very…

Computational Physics · Physics 2024-08-02 Martín Chávez-Páez , Enrique González-Tovar , Guillermo Iván Guerrero-García

We argue that one can associate a pseudo-time with sequences of configurations generated in the course of classical Monte Carlo simulations for a single-minimum bound state, if the sampling is optimal. Hereby the sampling rates can be,…

Statistical Mechanics · Physics 2023-05-29 Yang He , Vassiliy Lubchenko

Algorithms to determine transition probabilities in Monte Carlo simulations are tested using a system of classical particles with effective interactions which reproduce Bose-Einstein statistics. The system is appropriate for testing…

Statistical Mechanics · Physics 2021-01-11 Marisel Di Pietro Martínez , Martín Giuliano , Miguel Hoyuelos

Grid-free Monte Carlo methods such as walk on spheres can be used to solve elliptic partial differential equations without mesh generation or global solves. However, such methods independently estimate the solution at every point, and hence…

Graphics · Computer Science 2023-05-16 Bailey Miller , Rohan Sawhney , Keenan Crane , Ioannis Gkioulekas

We establish stochastic functional integral representations for incompressible fluid flows occupying wall-bounded domains using the conditional law duality for a class of diffusion processes. These representations are used to derive a…

Fluid Dynamics · Physics 2023-04-19 Vladislav Cherepanov , Zhongmin Qian

Gaussian processes (GPs) provide a powerful framework for extrapolation, interpolation, and noise removal in regression and classification. This paper considers constraining GPs to arbitrarily-shaped domains with boundary conditions. We…

Machine Learning · Statistics 2019-04-11 Arno Solin , Manon Kok

An important class of problems exhibits smooth behaviour in space and time on a macroscopic scale, while only a microscopic evolution law is known. For such time-dependent multi-scale problems, an ``equation-free framework'' has been…

Computational Physics · Physics 2007-05-23 Giovanni Samaey , Dirk Roose , Ioannis G. Kevrekidis

We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased sampling techniques to enhance the…

Statistical Mechanics · Physics 2009-10-31 N. B. Wilding , A. D. Bruce

We investigate both ensemble and time-averaged mean-squared displacements of particles in a polydisperse granular system in a homogeneous cooling state. The system contains an arbitrary number of species of different sizes and masses. The…

Soft Condensed Matter · Physics 2024-09-20 Anna S. Bodrova , Alexander I. Osinsky

We provide a detailed description of the path-integral Monte Carlo worm algorithm used to exactly calculate the thermodynamics of Bose systems in the canonical ensemble. The algorithm is fully consistent with periodic boundary conditions,…

Quantum Gases · Physics 2022-03-31 G. Spada , S. Giorgini , S. Pilati
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