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Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when…

Chemical Physics · Physics 2015-05-07 F. Revuelta , Thomas Bartsch , R. M. Benito , F. Borondo

Stochastic reaction networks, which are usually modeled as continuous-time Markov chains on $\mathbb Z^d_{\ge 0}$, and simulated via a version of the "Gillespie algorithm," have proven to be a useful tool for the understanding of processes,…

Probability · Mathematics 2025-07-15 David F. Anderson , Aidan S. Howells

The replication and differentiation of spots in reaction diffusion equations are studied by extending the Gray-Scott model with self-replicating spots to include many degrees of freedom needed to model systems with many chemicals. By…

Pattern Formation and Solitons · Physics 2009-11-07 Hiroaki Takagi , Kunihiko Kaneko

A model multilevel molecule described by two sets of rotational internal energy levels of different parity and degenerate ground states, coupled by a constant interaction, is considered, by assuming that the random collisions in a gas of…

Quantum Physics · Physics 2013-05-31 Filippo Giraldi , Francesco Petruccione

Reaction diffusion equations have been used to model a wide range of biological phenomenon related to population spread and proliferation from ecology to cancer. It is commonly assumed that individuals in a population have homogeneous…

Dynamical Systems · Mathematics 2023-04-14 Kyle Nguyen , Erica M. Rutter , Kevin Flores

In this article an upscaled model is presented, for complex networks with highly clustered regions exchanging some abstract quantities in both, microscale and macroscale level. Such an intricate system is approximated by a partitioned open…

Analysis of PDEs · Mathematics 2020-08-21 Fernando A Morales , Sebastián Naranjo Álvarez

We explain how to use diffusion models to learn inverse renormalization group flows of statistical and quantum field theories. Diffusion models are a class of machine learning models which have been used to generate samples from complex…

High Energy Physics - Theory · Physics 2023-09-07 Jordan Cotler , Semon Rezchikov

Diffusion-coagulation can be simply described by a dynamic where particles perform a random walk on a lattice and coalesce with probability unity when meeting on the same site. Such processes display non-equilibrium properties with strong…

Statistical Mechanics · Physics 2018-03-13 L. Turban , J. -Y. Fortin

Phase separation is the thermodynamic process that explains how droplets form in multicomponent fluids. These droplets can provide controlled compartments to localize chemical reactions, and reactions can also affect the droplets' dynamics.…

Soft Condensed Matter · Physics 2022-09-02 David Zwicker

We investigate the critical behavior of a reaction-diffusion system exhibiting a continuous absorbing-state phase transition. The reaction-diffusion system strictly conserves the total density of particles, represented as a non-diffusive…

Statistical Mechanics · Physics 2009-10-31 Romualdo Pastor-Satorras , Alessandro Vespignani

We study a reaction-diffusion process that involves two species of atoms, immobile and diffusing. We assume that initially only immobile atoms, uniformly distributed throughout the entire space, are present. Diffusing atoms are injected at…

Statistical Mechanics · Physics 2014-07-18 P. L. Krapivsky

The use of cross-diffusion systems as mathematical models of different image processes is investigated. The present paper is concerned with linear filtering. First, those systems satisfying the most important scale-space properties are…

Analysis of PDEs · Mathematics 2017-02-21 A. Araujo , S. Barbeiro , E. Cuesta , A. Duran

We investigate the link between particle-scale dynamics and bulk behaviors of thickly-coated particle-fluid flows using computational simulations. We find that, similar to dense fully-saturated slurries, the form the rheology takes in these…

Fluid Dynamics · Physics 2018-12-19 Teng Man , Qingfeng Feng , K. M. Hill

These lecture notes cover basic automata-theoretic concepts and logical formalisms for the modeling and verification of concurrent and distributed systems. Many of these concepts naturally extend the classical automata and logics over…

Logic in Computer Science · Computer Science 2021-10-19 Benedikt Bollig , Paul Gastin

A horizontal $N$-dimensional plane, having a diffusion of its own, exchanges with the lower half space. There, a reaction-diffusion process, modelled by a free boundary problem, takes place. We wish to understand whether, and how, the free…

Analysis of PDEs · Mathematics 2022-12-21 Luis A. Caffarelli , Jean-Michel Roquejoffre , Ignacio Tomasetti

Exchange of biochemical substances is essential way in establishing communication between bacterial cells. It is noticeable that all phases of the process are heavily influenced by perturbations of either internal or external parameters.…

Chaotic Dynamics · Physics 2010-08-18 Igor Balaz , Dragutin T. Mihailovic

Cross-diffusion systems arise as hydrodynamic limits of lattice multi-species interacting particle models. The objective of this work is to provide a numerical scheme for the simulation of the cross-diffusion system identified in [J.…

Numerical Analysis · Mathematics 2023-09-06 Jad Dabaghi , Virginie Ehrlacher , Christoph Strössner

Subdiffusion with reaction $A+B\rightarrow B$ is considered in a system which consists of two homogeneous media joined together; the $A$ particles are mobile whereas $B$ are static. Subdiffusion and reaction parameters, which are assumed to…

Statistical Mechanics · Physics 2017-04-05 Tadeusz Kosztołowicz

Detailed modeling and simulation of biochemical systems is complicated by the problem of combinatorial complexity, an explosion in the number of species and reactions due to myriad protein-protein interactions and post-translational…

Quantitative Methods · Quantitative Biology 2014-05-20 Justin S. Hogg , Leonard A. Harris , Lori J. Stover , Niketh S. Nair , James R. Faeder

This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…

Computational Physics · Physics 2021-06-04 Tim Wallis , Philip T. Barton , Nikolaos Nikiforakis
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