Higham, D.J. (2008) Modeling and simulating chemical reactions. SIAM Review, 50 (2). pp. 347368. ISSN 00361445

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Abstract
Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differential equations. However, these deterministic reaction rate equations are really a certain largescale limit of a sequence of finerscale probabilistic models. In studying this hierarchy of models, students can be exposed to a range of modern ideas in applied and computational mathematics. This article introduces some of the basic concepts in an accessible manner and points to some challenges that currently occupy researchers in this area. Short, downloadable MATLAB codes are listed and described.
Item type:  Article 

ID code:  13549 
Keywords:  EulerMaruyama, Gillespie, MichaelisMenten, birthanddeath process, chemical Langevin, chemical master equation, kinetic Monte Carlo, law of mass action, reaction rate equation, stochastic simulation algorithm, stoichiometric vector, tauleaping, Mathematics, Computational Mathematics, Theoretical Computer Science, Applied Mathematics 
Subjects:  Science > Mathematics 
Department:  Faculty of Science > Mathematics and Statistics 
Depositing user:  Mrs Irene Spencer 
Date Deposited:  05 Jan 2010 12:20 
Last modified:  17 Jun 2015 16:22 
URI:  http://strathprints.strath.ac.uk/id/eprint/13549 
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