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Particle-based stochastic reaction-diffusion (PBSRD) models are a popular approach for studying biological systems involving both noise in the reaction process and diffusive transport. In this work we derive coarse-grained deterministic…

概率论 · 数学 2021-09-02 Samuel A. Isaacson , Jingwei Ma , Konstantinos Spiliopoulos

Open biochemical systems of interacting molecules are ubiquitous in life-related processes. However, established computational methodologies, like molecular dynamics, are still mostly constrained to closed systems and timescales too small…

定量方法 · 定量生物学 2025-10-15 Margarita Kostré , Christof Schütte , Frank Noé , Mauricio J. del Razo

Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or…

计算物理 · 物理学 2016-03-02 Fabian Spill , Pilar Guerrero , Tomas Alarcon , Philip K. Maini , Helen Byrne

We consider particle-based stochastic reaction-drift-diffusion models where particles move via diffusion and drift induced by one- and two-body potential interactions. The dynamics of the particles are formulated as measure-valued…

Recent works have derived and proven the large-population mean-field limit for several classes of particle-based stochastic reaction-diffusion (PBSRD) models. These limits correspond to systems of partial integral-differential equations…

概率论 · 数学 2023-10-16 Max Heldman , Samuel Isaacson , Jingwei Ma , Konstantinos Spiliopoulos

Particle-based stochastic reaction-diffusion (PBSRD) models are a popular approach for capturing stochasticity in reaction and transport processes across biological systems. In some contexts, the overdamped approximation inherent in such…

生物物理 · 物理学 2025-06-17 Samuel A. Isaacson , Qianhan Liu , Konstantinos Spiliopoulos , Chen Yao

The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework, frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical…

数值分析 · 数学 2015-06-23 Stefan Hellander , Andreas Hellander , Linda Petzold

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

定量方法 · 定量生物学 2015-10-05 Christian A. Yates , Mark B. Flegg

This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…

The reaction-diffusion master equation (RDME) is a lattice stochastic reaction-diffusion model that has been used to study spatially distributed cellular processes. The RDME is often interpreted as an approximation to spatially-continuous…

数值分析 · 数学 2013-08-05 Samuel A Isaacson

The reaction-diffusion master equation (RDME) is commonly used to model processes where both the spatial and stochastic nature of chemical reactions need to be considered. We show that the RDME in many cases is inconsistent with a…

定量方法 · 定量生物学 2009-05-29 Paul Sjoberg , Otto G Berg , Johan Elf

The reaction-diffusion master equation (RDME) is a lattice-based stochastic model for spatially resolved cellular processes. It is often interpreted as an approximation to spatially continuous reaction-diffusion models, which, in the limit…

统计力学 · 物理学 2022-01-11 Alberto Montefusco , Christof Schütte , Stefanie Winkelmann

The reaction-diffusion master equation (RDME) is a standard modelling approach for understanding stochastic and spatial chemical kinetics. An inherent assumption is that molecules are point-like. Here we introduce the crowded…

统计力学 · 物理学 2016-03-23 Claudia Cianci , Stephen Smith , Ramon Grima

This work proposes stochastic partial differential equations (SPDEs) as a practical tool to replicate clustering effects of more detailed particle-based dynamics. Inspired by membrane-mediated receptor dynamics on cell surfaces, we…

Simulation of stochastic spatially-extended systems is a challenging problem. The fundamental quantities in these models are individual entities such as molecules, cells, or animals, which move and react in a random manner. In big systems,…

定量方法 · 定量生物学 2024-09-24 Tomás Alarcón , Natalia Briñas-Pascual , Juan Calvo , Pilar Guerrero , Daria Stepanova

Two algorithms that combine Brownian dynamics (BD) simulations with mean-field partial differential equations (PDEs) are presented. This PDE-assisted Brownian dynamics (PBD) methodology provides exact particle tracking data in parts of the…

计算物理 · 物理学 2012-06-27 Benjamin Franz , Mark B. Flegg , S. Jonathan Chapman , Radek Erban

This paper aims to establish a first general error estimate for numerical approximations of the system of reaction-diffusion equations (SRDEs), using reasonable regularity assumptions on the exact solutions. We employ the gradient…

偏微分方程分析 · 数学 2025-01-24 Yahya Alnashri

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…

数值分析 · 数学 2012-04-27 Stefan Hellander , Andreas Hellander , Linda Petzold

We study the approximation of a multiscale reaction-diffusion system posed on both macroscopic and microscopic space scales. The coupling between the scales is done via micro-macro flux conditions. Our target system has a typical structure…

偏微分方程分析 · 数学 2016-12-28 Martin Lind , Adrian Muntean

In this paper, we discuss and compare two probabilistic approaches for associating a stochastic differential equation with a McKean-type partial differential equation featuring a reaction term and path-dependent coefficients. The…

概率论 · 数学 2026-02-10 Daniela Morale , Leonardo Tarquini , Stefania Ugolini
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