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In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…

Chemical Physics · Physics 2019-11-05 Denis S. Grebenkov , Diego Krapf

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…

Quantitative Methods · Quantitative Biology 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…

Computational Physics · Physics 2016-03-02 Fabian Spill , Pilar Guerrero , Tomas Alarcon , Philip K. Maini , Helen Byrne

Biochemical reactions can happen on different time scales and also the abundance of species in these reactions can be very different from each other. Classical approaches, such as deterministic or stochastic approach, fail to account for or…

Quantitative Methods · Quantitative Biology 2014-09-16 Arnab Ganguly , Derya Altintan , Heinz Koeppl

Understanding the asymptotic behavior of reaction-diffusion (RD) systems is crucial for modeling processes ranging from species coexistence in ecology to biochemical interactions within cells. In this work, we analyze RD systems in which…

Dynamical Systems · Mathematics 2025-02-18 Carlos Barajas , Jean-Jacques Slotine , Domitilla Del Vecchio

Trimolecular reaction models are investigated in the compartment-based (lattice-based) framework for stochastic reaction-diffusion modelling. The formulae for the first collision time and the mean reaction time are derived for the case…

Numerical Analysis · Mathematics 2016-03-17 F Li , M Chen , R Erban , Y Cao

Many physical systems are described by probability distributions that evolve in both time and space. Modeling these systems is often challenging to due large state space and analytically intractable or computationally expensive dynamics. To…

Biological Physics · Physics 2019-07-03 Oliver K. Ernst , Tom Bartol , Terrence Sejnowski , Eric Mjolsness

Partial differential equations (p.d.e) equipped of spatial derivatives of fractional order capture anomalous transport behaviors observed in diverse fields of Science. A number of numerical methods approximate their solutions in dimension…

Computational Physics · Physics 2018-08-21 Alain Cartalade , Amina Younsi , Marie-Christine Néel

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

Cellular reactions have multi-scale nature in the sense that the abundance of molecular species and the magnitude of reaction rates can vary in a wide range. This diversity leads to hybrid models that combine deterministic and stochastic…

Probability · Mathematics 2018-09-06 Derya Altıntan , Heinz Koeppl

The diffusion of a reactant to a binding target plays a key role in many biological processes. The reaction-radius at which the reactant and target may interact is often a small parameter relative to the diameter of the domain in which the…

Subcellular Processes · Quantitative Biology 2016-10-26 Sam Isaacson , Ava Mauro , Jay Newby

The Adaptive Two-Regime Method (ATRM) is developed for hybrid (multiscale) stochastic simulation of reaction-diffusion problems. It efficiently couples detailed Brownian dynamics simulations with coarser lattice-based models. The ATRM is a…

Computational Physics · Physics 2015-06-18 Martin Robinson , Mark Flegg , Radek Erban

We consider a class of reaction-diffusion equations with a stochastic perturbation on the boundary. We show that in the limit of fast diffusion, one can rigorously approximate solutions of the system of PDEs with stochastic Neumann boundary…

Analysis of PDEs · Mathematics 2014-08-13 Wael W. Mohammed , Dirk Blömker

The stochastic reaction-diffusion model driven by a multiplicative noise is examined. We construct the gradient discretisation method (GDM), an abstract framework combining several numerical method families. The paper provides the…

Numerical Analysis · Mathematics 2024-07-11 Yahya Alnashri , Hasan Alzubaidi

Pattern formation in reaction-diffusion systems is of great importance in surface micro-patterning [Grzybowski et al. Soft Matter. 1, 114 (2005)], self-organization of cellular micro-organisms [Schulz et al. Annu. Rev. Microbiol. 55, 105…

Soft Condensed Matter · Physics 2015-05-19 S. G. Ayodele , F. Varnik , D. Raabe

We expand on a previous study of fronts in finite particle number reaction-diffusion systems in the presence of a reaction rate gradient in the direction of the front motion. We study the system via reaction-diffusion equations, using the…

Statistical Mechanics · Physics 2009-11-11 Elisheva Cohen , David A. Kessler , Herbert Levine

We investigate the convergence of spatial discretizations for reaction-diffusion systems with mass-action law satisfying a detailed balance condition. Considering systems on the d-dimensional torus, we construct appropriate space-discrete…

Analysis of PDEs · Mathematics 2025-04-10 Georg Heinze , Alexander Mielke , Artur Stephan

Diffusion is the macroscopic manifestation of disordered molecular motion. Mathematically, diffusion equations are partial differential equations describing the fluid-like large-scale dynamics of parcels of molecules. Spatially…

Fluid Dynamics · Physics 2018-10-26 F. Sattin , A. Bonato , L. Salasnich

Biochemical reaction networks are widely applied across scientific disciplines to model complex dynamic systems. We investigate the diffusion approximation of reaction networks with mass-action kinetics, focusing on the identifiability of…

Probability · Mathematics 2026-04-29 Louis Faul , Linard Hoessly , Panqiu Xia

Many cellular and subcellular biological processes can be described in terms of diffusing and chemically reacting species (e.g. enzymes). Such reaction-diffusion processes can be mathematically modelled using either deterministic…

Biological Physics · Physics 2015-06-26 Radek Erban , S. Jonathan Chapman