English
Related papers

Related papers: Cell List Algorithms for Nonequilibrium Molecular …

200 papers

Matrix reduction is the standard procedure for computing the persistent homology of a filtered simplicial complex with $m$ simplices. Its output is a particular decomposition of the total boundary matrix, from which the persistence diagrams…

Computational Geometry · Computer Science 2023-10-17 Matthew Piekenbrock , Jose A. Perea

Particle Flow Filters estimate the ``a posteriori" probability density function (PDF) by moving an ensemble of particles according to the likelihood. Particles are propagated under the system dynamics until a measurement becomes available…

Computational Engineering, Finance, and Science · Computer Science 2025-05-06 Simone Servadio

We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non uniform density profile. Results match quite well as long as the lengthscale of density…

We investigate a probabilistic cellular automaton model which has been introduced recently. This model describes single-lane traffic flow on a ring and generalizes the asymmetric exclusion process models. We study the equilibrium properties…

Condensed Matter · Physics 2009-10-22 M. Schreckenberg , A. Schadschneider , K. Nagel , N. Ito

We improve a recently proposed dynamically driven renormalization group algorithm for cellular automata systems with one absorbing state, introducing spatial correlations in the expression for the transition probabilities. We implement the…

Statistical Mechanics · Physics 2009-10-31 Roberto A. Monetti , Javier E. Satulovsky

For theoretical gas dynamics, the flow regimes are classified according to the Knudsen number. For computational fluid dynamics (CFD), the numerical flow field is the projection of the physical flow field onto the discrete space and time,…

Computational Physics · Physics 2018-05-28 Chang Liu , Kun Xu , Guangzhao Zhou

In this paper, we propose, analyze, and test an efficient algorithm for computing ensemble average of incompressible magnetohydrodynamics (MHD) flows, where instances/members correspond to varying kinematic viscosity, magnetic diffusivity,…

Numerical Analysis · Mathematics 2021-08-12 Muhammad Mohebujjaman , Hongwei Wang , Leo G. Rebholz , Md. Abdullah Al Mahbub

Incompressibility is a fundamental condition in most fluid models. Accumulation of simulation errors violates it and causes volume loss. Past work suggested correction methods to battle it. These methods, however, are imperfect and in some…

Graphics · Computer Science 2026-01-21 Zohar Levi

An effective computer program for three dimensional relativistic hydrodynamical model has been developed. It implements a new approach to the early hot phase of relativistic heavy-ion collisions. The computer program simulates time-space…

Nuclear Theory · Physics 2009-11-11 Daniel Kikola , Wiktor Peryt , Yuri M. Sinyukov , Marcin Slodkowski , Marek Szuba

Modeling and optimization of metabolic networks has been one of the hottest topics in computational systems biology within recent years. However, the complexity and uncertainty of these networks in addition to the lack of necessary data has…

Molecular Networks · Quantitative Biology 2014-07-01 Erfan Khaji , Mahsa Mortazavi

We propose a new adequacy test and a graphical evaluation tool for nonlinear dynamic models. The proposed techniques can be applied in any setup where parametric conditional distribution of the data is specified, in particular to models…

Statistics Theory · Mathematics 2017-06-02 Igor L. Kheifets

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

comp-gas · Physics 2009-09-25 Himanshu Agrawal

We describe a new computational method for the numerically stable particle-based simulation of open-boundary flows, including volume conserving chemical reactions. The novel method is validated for the case of heterogeneous catalysis…

Adaptation and Self-Organizing Systems · Physics 2020-10-09 Sebastian Mühlbauer , Severin Strobl , Thorsten Pöschel

In this paper we propose a novel algorithm to combine two or more cellular complexes, providing a minimal fragmentation of the cells of the resulting complex. We introduce here the idea of arrangement generated by a collection of cellular…

Computational Geometry · Computer Science 2017-08-29 Alberto Paoluzzi , Vadim Shapiro , Antonio DiCarlo

The purpose of this paper is to propose a time-step-robust cell-to-cell integration of particle trajectories in 3-D unstructured meshes in particle/mesh Lagrangian stochastic methods. The main idea is to dynamically update the mean fields…

Computation · Statistics 2023-04-19 Guilhem Balvet , Jean-Pierre Minier , Christophe Henry , Yelva Roustan , Martin Ferrand

The normal form and zero dynamics are powerful tools useful in analysis and control of both linear and nonlinear systems. There are no simple closed form solutions to the general zero dynamics problem for nonlinear systems. A few algorithms…

Optimization and Control · Mathematics 2018-12-06 Siamak Tafazoli

We present a lattice Boltzmann algorithm for liquid crystal hydrodynamics. The coupling between the tensor order parameter and the flow is treated consistently allowing investigation of a wide range of non-Newtonian flow behavior. We…

Soft Condensed Matter · Physics 2007-05-23 Colin Denniston , E. Orlandini , J. M. Yeomans

The quasi-neutral hybrid particle-in-cell algorithm with kinetic ions and fluid electrons is a popular model to study multi-scale problems in laboratory, space, and astrophysical plasmas. Here, it is shown that the treatment of ions as…

Plasma Physics · Physics 2020-08-26 A. Stanier , L. Chacon , A. Le

Novel technological applications often involve fluid flows in the Knudsen regime in which the mean free path is comparable to the system size. We use molecular dynamics simulations to study the transition between the dilute gas and the…

Statistical Mechanics · Physics 2009-10-31 Marek Cieplak , Joel Koplik , Jayanth R. Banavar

We present an adaptive reduced-order model for the efficient time-resolved simulation of fluid-structure interaction problems with complex and non-linear deformations. The model is based on repeated linearizations of the structural balance…

Fluid Dynamics · Physics 2020-04-13 Ali Thari , Vito Pasquariello , Niels Aage , Stefan Hickel