### Abstract

Original language | English |
---|---|

Pages (from-to) | 347-368 |

Number of pages | 21 |

Journal | SIAM Review |

Volume | 50 |

Issue number | 2 |

DOIs | |

Publication status | Published - 5 May 2008 |

### Fingerprint

### Keywords

- Euler-Maruyama
- Gillespie
- Michaelis-Menten
- birth-and-death process
- chemical Langevin
- chemical master equation
- kinetic Monte Carlo
- law of mass action
- reaction rate equation
- stochastic simulation algorithm
- stoichiometric vector
- tau-leaping

### Cite this

*SIAM Review*,

*50*(2), 347-368. https://doi.org/10.1137/060666457

}

*SIAM Review*, vol. 50, no. 2, pp. 347-368. https://doi.org/10.1137/060666457

**Modeling and simulating chemical reactions.** / Higham, Desmond J.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Modeling and simulating chemical reactions

AU - Higham, Desmond J.

PY - 2008/5/5

Y1 - 2008/5/5

N2 - 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 large-scale limit of a sequence of finer-scale 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.

AB - 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 large-scale limit of a sequence of finer-scale 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.

KW - Euler-Maruyama

KW - Gillespie

KW - Michaelis-Menten

KW - birth-and-death process

KW - chemical Langevin

KW - chemical master equation

KW - kinetic Monte Carlo

KW - law of mass action

KW - reaction rate equation

KW - stochastic simulation algorithm

KW - stoichiometric vector

KW - tau-leaping

U2 - 10.1137/060666457

DO - 10.1137/060666457

M3 - Article

VL - 50

SP - 347

EP - 368

JO - SIAM Review

JF - SIAM Review

SN - 0036-1445

IS - 2

ER -