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A novel approach to simulate simple protein-ligand systems at large time- and length-scales is to couple Markov state models (MSMs) of molecular kinetics with particle-based reaction-diffusion (RD) simulations, MSM/RD. Currently, MSM/RD…

Chemical Physics · Physics 2021-12-10 Mauricio J. del Razo , Manuel Dibak , Christof Schütte , Frank Noé

We design and analyze an approximation method for advection-diffusion-reaction equations where the (generalized) degrees of freedom are polynomials of order $k\ge0$ at mesh faces. The method hinges on local discrete reconstruction operators…

Numerical Analysis · Mathematics 2018-05-29 Daniele A. Di Pietro , Jérôme Droniou , Alexandre Ern

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

We present the spatial regime conversion method (SRCM), a novel hybrid modelling framework for simulating reaction-diffusion systems that adaptively combines stochastic discrete and deterministic continuum representations. Extending the…

Quantitative Methods · Quantitative Biology 2025-07-08 Charles G. Cameron , Cameron A. Smith , Christian A. Yates

Morphogenesis is central to biology but remains largely unexplored in chemistry. Reaction-diffusion (RD) mechanisms are, however, essential to understand how shape emerges in the living world. While numerical methods confirm the incredible…

Pattern Formation and Solitons · Physics 2014-07-17 Anton S. Zadorin , Yannick Rondelez , Jean-Christophe Galas , André Estevez-Torres

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

Probability · Mathematics 2022-02-28 Daniele Cappelletti , Badal Joshi

A molecule traveling in a realistic propagation environment can experience stochastic interactions with other molecules and the environment boundary. The statistical behavior of some isolated phenomena, such as dilute unbounded molecular…

Chemical Physics · Physics 2015-05-20 Adam Noel , Karen C. Cheung , Robert Schober

The dynamics of ecological as well as chemical systems may depend on heterogeneous configurations. Heterogeneity in reaction-diffusion systems often increase modelling and simulating difficulties when non-linear effects are present. One…

Physics and Society · Physics 2019-08-27 Orlando Silva

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…

Probability · Mathematics 2025-01-22 Max Heldman , Samuel A. Isaacson , Qianhan Liu , Konstantinos Spiliopoulos

In the study of geometric surface evolutions, stochastic reaction-diffusion equation provides a powerful tool for capturing and simulating complex dynamics. A critical challenge in this area is developing numerical approximations that…

Numerical Analysis · Mathematics 2025-01-16 Jianbo Cui , Feng-Yu Wang

We investigate stochastic reaction-diffusion equations on finite metric graphs. On each edge in the graph a multiplicative cylindrical Gaussian noise driven reaction-diffusion equation is given. The vertex conditions are the standard…

Dynamical Systems · Mathematics 2023-03-03 Eszter Sikolya

Certain two-component reaction-diffusion systems on a finite interval are known to possess mesa (box-like) steadystate patterns in the singularly perturbed limit of small diffusivity for one of the two solution components. As the…

Pattern Formation and Solitons · Physics 2009-11-13 T. Kolokolnikov , M. J. Ward , J. Wei

The recent advancements in mathematical modeling of biochemical systems have generated increased interest in sensitivity analysis methodologies. There are two primary approaches for analyzing these mathematical models: the stochastic…

Computation · Statistics 2025-10-14 Kannon Hossain , Roger Sidje , Fahad Mostafa

By discretising space into compartments and letting system dynamics be governed by the reaction-diffusion master equation, it is possible to derive and simulate a stochastic model of reaction and diffusion on an arbitrary domain. However,…

Computational Physics · Physics 2019-11-27 Bartosz J. Bartmanski , Ruth E. Baker

We consider multiscale stochastic spatial gene networks involving chemical reactions and diffusions. The model is Markovian and the transitions are driven by Poisson random clocks. We consider a case where there are two different spatial…

Probability · Mathematics 2020-07-10 Arnaud Debussche , Mac Jugal Nguepedja Nankep

Reaction-diffusion equations are commonly used to model a diverse array of complex systems, including biological, chemical, and physical processes. Typically, these models are phenomenological, requiring the fitting of parameters to…

This paper studies the limit of a kinetic evolution equation involving a small parameter and driven by a random process which also scales with the small parameter. In order to prove the convergence in distribution to the solution of a…

Probability · Mathematics 2021-06-28 Shmuel Rakotonirina-Ricquebourg

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and…

Artificial Intelligence · Computer Science 2026-04-24 Qiang Xu , Shengyuan Bai , Yu Wang , He Cao , Leqing Chen , Yuanyuan Liu , Bin Feng , Zijing Liu , Yu Li

Rate-equation models are a widely-used and inexpensive tool for the simulation of interstellar chemistry under a range of physical conditions. However, their application to grain-surface chemical systems necessitates a number of simplifying…

Astrophysics of Galaxies · Physics 2017-05-24 Eric R. Willis , Robin T. Garrod

Subdiffusion has been proposed as an explanation of various kinetic phenomena inside living cells. In order to fascilitate large-scale computational studies of subdiffusive chemical processes, we extend a recently suggested mesoscopic model…

Analysis of PDEs · Mathematics 2018-02-19 Emilie Blanc , Stefan Engblom , Andreas Hellander , Per Lötstedt