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The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the…

Soft Condensed Matter · Physics 2019-10-24 Manuel Dibak , Christoph Fröhner , Frank Noé , Felix Höfling

Motivated by models of signaling pathways in B lymphocytes, which have extremely large nuclei, we study the question of how reaction-diffusion equations in thin $2D$ domains may be approximated by diffusion equations in regions of smaller…

Analysis of PDEs · Mathematics 2020-07-17 Adam Bobrowski

The Drift-Diffusion Model (DDM) is widely used in neuropsychological studies to understand the decision process by incorporating both reaction times and subjects' responses. Various models have been developed to estimate DDM parameters,…

Applications · Statistics 2025-07-03 Zekai Jin , Yaakov Stern , Seonjoo Lee

In this paper, we study the diffusion approximation for singularly perturbed stochastic reaction-diffusion equation with a fast oscillating term. The asymptotic limit for the original system is obtained, where an extra Gaussian term…

Probability · Mathematics 2021-06-08 Longjie Xie , Li Yang

The conditional diffusion model (CDM) enhances the standard diffusion model by providing more control, improving the quality and relevance of the outputs, and making the model adaptable to a wider range of complex tasks. However, inaccurate…

Machine Learning · Computer Science 2024-08-07 Weifeng Xu , Xiang Zhu , Xiaoyong Li

Diffusion-limited association reactions are ubiquitous in nature. They are particularly important for biological reactions, where the reaction rates are often determined by the diffusive transport of the molecules on two-dimensional…

Soft Condensed Matter · Physics 2020-10-06 Sumantra Sarkar

The two-regime method (TRM) has been recently developed for optimizing stochastic reaction-diffusion simulations. It is a multiscale (hybrid) algorithm which uses stochastic reaction-diffusion models with different levels of detail in…

Quantitative Methods · Quantitative Biology 2013-04-22 Mark B. Flegg , S. Jonathan Chapman , Likun Zheng , Radek Erban

We survey recent results on reaction-diffusion equations with discontinuous hysteretic nonlinearities. We connect these equations with free boundary problems and introduce a related notion of spatial transversality for initial data and…

Analysis of PDEs · Mathematics 2015-08-11 Mark Curran , Pavel Gurevich , Sergey Tikhomirov

The transport and chemical reactions of solutes are modelled as a cellular automaton in which molecules of different species perform a random walk on a regular lattice and react according to a local probabilistic rule. The model describes…

comp-gas · Physics 2009-10-22 T. Karapiperis , B. Blankleider

In this paper, we study dimension reduction techniques for large-scale controlled stochastic differential equations (SDEs). The drift of the considered SDEs contains a polynomial term satisfying a one-sided growth condition. Such…

Probability · Mathematics 2023-03-10 Martin Redmann

We propose certain approach of solving two-dimensional non-stationary and stationary advection-diffusion-reaction boundary value problems through their reduction to the set of corresponding one-dimensional problems. This method leverages…

Numerical Analysis · Mathematics 2024-11-19 R. Drebotiy , H. Shynkarenko

The ring polymer molecular dynamics (RPMD) rate theory is an efficient and accurate method for estimating rate coefficients of chemical reactions affected by nuclear quantum effects. The commonly used RPMD treatment of gas-phase bimolecular…

Chemical Physics · Physics 2025-04-03 Chen Li , Liang Zhang , Bin Jiang , Hua Guo

We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction…

Chemical Physics · Physics 2016-03-23 Jakob J. Kolb , Stefano Angioletti-Uberti , Joachim Dzubiella

Complex multidimensional stochastic dynamics can be approximately described as diffusion along reaction coordinates (RCs). If the RCs are optimally selected, the diffusive model allows one to compute important properties of the dynamics…

Chemical Physics · Physics 2023-04-12 Sergei V. Krivov

We consider strong convergence of the finite differences approximation in space for stochastic reaction diffusion equations with multiplicative noise under a one-sided Lipschitz condition only. We derive convergence with an implicit rate…

Probability · Mathematics 2015-04-17 Martin Sauer , Wilhelm Stannat

We study a stochastic system of $N$ interacting particles which models bimolecular chemical reaction-diffusion. In this model, each particle $i$ carries two attributes: the spatial location $X_t^i\in \mathbb{T}^d$, and the type $\Xi_t^i\in…

Analysis of PDEs · Mathematics 2020-01-24 Tau Shean Lim , Yulong Lu , James Nolen

Biochemical reactions inside living cells often occur in the presence of crowders -- molecules that do not participate in the reactions but influence the reaction rates through excluded volume effects. However the standard approach to…

Quantitative Methods · Quantitative Biology 2022-05-16 Svitlana Braichenko , Ramon Grima , Guido Sanguinetti

In synaptic molecular communication (MC), the activation of postsynaptic receptors by neurotransmitters (NTs) is governed by a stochastic reaction-diffusion process. This randomness of synaptic MC contributes to the randomness of the…

Subcellular Processes · Quantitative Biology 2023-01-18 Sebastian Lotter , Maximilian Schäfer , Robert Schober

The paper treats a reaction-diffusion equation with hysteretic nonlinearity on a one-dimensional lattice. It arises as a result of the spatial discretization of the corresponding continuous model with so-called nontransverse initial data…

Analysis of PDEs · Mathematics 2016-01-22 Pavel Gurevich , Sergey Tikhomirov

The paper deals with reaction-diffusion equations involving a hysteretic discontinuity in the source term, which is defined at each spatial point. In particular, such problems describe chemical reactions and biological processes in which…

Analysis of PDEs · Mathematics 2014-04-17 Pavel Gurevich , Roman Shamin , Sergey Tikhomirov
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