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This study considers using Metropolis-Hastings algorithm for stochastic simulation of chemical reactions. The proposed method uses SSA (Stochastic Simulation Algorithm) distribution which is a standard method for solving well-stirred…

Numerical Analysis · Computer Science 2014-10-31 Azam S. Zavar Moosavi , Paul Tranquilli , Adrian Sandu

In this paper, an algorithm is presented to calculate the transition rates between adjacent mesoscopic subvolumes in the presence of flow and diffusion. These rates can be integrated in stochastic simulations of reaction-diffusion systems…

Chemical Physics · Physics 2020-04-24 Adam Noel , Dimitrios Makrakis

This paper analyses of a stochastic model of a chemical reaction network with three types of chemical species ${\cal R}$, ${\cal M}$ and ${\cal U}$ that interact to transform a flow of external resources, the chemical species ${\cal Q}$, to…

Probability · Mathematics 2025-12-01 Vincent Fromion , Philippe Robert , Jana Zaherddine

Turing patterns can be observed in reaction-diffusion systems where chemical species have different diffusion constants. In recent years, several studies investigated the effects of noise on Turing patterns and showed that the parameter…

Computational Physics · Physics 2013-10-30 Yang Cao , Radek Erban

This paper deals also with a problem of gas absorption accompanied by an instantaneous, irreversible reaction in the liquid layer. The well-known methods for calculating such processes are based usually on the certain amendments to…

Computational Engineering, Finance, and Science · Computer Science 2015-06-04 A. M. Brener , L. M. Musabekova

In this paper we present computational techniques to investigate the solutions of two-component, nonlinear reaction-diffusion (RD) systems on arbitrary surfaces. We build on standard techniques for linear and nonlinear analysis of RD…

Computational Engineering, Finance, and Science · Computer Science 2016-05-06 Daljit Singh J. Dhillon , Michel C. Milinkovitch , Matthias Zwicker

The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…

Molecular Networks · Quantitative Biology 2018-05-29 Polly Y. Yu , Gheorghe Craciun

A spatio-temporal evolution of chemicals appearing in a reversible enzyme reaction and modelled by a four component reaction-diffusion system with the reaction terms obtained by the law of mass action is considered. The large time behaviour…

Analysis of PDEs · Mathematics 2016-10-25 Jan Elias

Stochastic models of chemical systems are often analysed by solving the corresponding Fokker-Planck equation which is a drift-diffusion partial differential equation for the probability distribution function. Efficient numerical solution of…

Numerical Analysis · Mathematics 2011-11-10 Simon L. Cotter , Tomas Vejchodsky , Radek Erban

We study stochastic particle systems on a complete graph and derive effective mean-field rate equations in the limit of diverging system size, which are also known from cluster aggregation models. We establish the propagation of chaos under…

Probability · Mathematics 2021-07-21 Watthanan Jatuviriyapornchai , Stefan Grosskinsky

Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…

Graphics · Computer Science 2025-05-20 Javier E. Santos , Agnese Marcato , Roman Colman , Nicholas Lubbers , Yen Ting Lin

The interplay between stochastic chemical reactions and diffusion can generate rich spatiotemporal patterns. While the timescale for individual reaction or diffusion events may be very fast, the timescales for organization can be much…

Statistical Mechanics · Physics 2023-12-12 Schuyler B. Nicholson , Todd R. Gingrich

Diffusion with stochastic resetting, instantaneous returns of a diffusing particle to a reference point, creates a stationary probability distribution. The paradigm is extended here to a doubly stochastic protocol in which the resetting…

Statistical Mechanics · Physics 2025-10-01 Maxence Arutkin , Shlomi Reuveni

We analyse a dynamic control problem for scalar reaction-diffusion equations, focusing on the emulation of pattern formation through the selection of appropriate active controls. While boundary controls alone prove inadequate for…

Optimization and Control · Mathematics 2024-07-26 Domènec Ruiz-Balet , Enrique Zuazua

In this paper, we study a numerical approximation for a class of stationary states for reaction-diffusion system with m densities having disjoint support, which are governed by a minimization problem. We use quantitative properties of both…

Numerical Analysis · Mathematics 2014-05-09 Avetik Arakelyan , Farid Bozorgnia

This paper is concerned with classes of models of stochastic reaction dynamics with time-scales separation. We demonstrate that the existence of the time-scale separation naturally leads to the application of the averaging principle and…

Computational Physics · Physics 2007-05-23 Sergey Plyasunov

We consider the numerical solution of coupled volume-surface reaction-diffusion systems having a detailed balance equilibrium. Based on the conservation of mass, an appropriate quadratic entropy functional is identified and an…

Numerical Analysis · Mathematics 2015-11-04 Herbert Egger , Klemens Fellner , Jan-Frederik Pietschmann , Bao Quoc Tang

The stationary state of stochastic processes such as reaction-diffusion systems can be related to the ground state of a suitably defined quantum Hamiltonian. Using this analogy, we investigate the applicability of a real space…

Statistical Mechanics · Physics 2007-05-23 J. Hooyberghs , C. Vanderzande

Brownian Dynamics algorithms are widely used for simulating soft-matter and biochemical systems. In recent times, their application has been extended to the simulation of coarse-grained models of cellular networks in simple organisms. In…

Quantitative Methods · Quantitative Biology 2009-11-13 Marco J. Morelli , Pieter Rein ten Wolde

Stochastic modeling of reaction-diffusion kinetics has emerged as a powerful theoretical tool in the study of biochemical reaction networks. Two frequently employed models are the particle-tracking Smoluchowski framework and the on-lattice…

Numerical Analysis · Mathematics 2012-04-27 Stefan Hellander , Andreas Hellander , Linda Petzold
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