Stochastic simulation of chemical kinetics

DT Gillespie - Annu. Rev. Phys. Chem., 2007 - annualreviews.org
Stochastic chemical kinetics describes the time evolution of a well-stirred chemically
reacting system in a way that takes into account the fact that molecules come in whole …

An overview of spatial microscopic and accelerated kinetic Monte Carlo methods

A Chatterjee, DG Vlachos - Journal of computer-aided materials design, 2007 - Springer
The microscopic spatial kinetic Monte Carlo (KMC) method has been employed extensively
in materials modeling. In this review paper, we focus on different traditional and multiscale …

[BOK][B] Monte Carlo simulation in statistical physics

K Binder, DW Heermann, K Binder - 1992 - Springer
Roughly at the time (1987) when the manuscript for the first three chapters of the present
book was completed, several breakthroughs occurred. They had a profound influence on the …

COPASI—a complex pathway simulator

S Hoops, S Sahle, R Gauges, C Lee, J Pahle… - …, 2006 - academic.oup.com
Motivation: Simulation and modeling is becoming a standard approach to understand
complex biochemical processes. Therefore, there is a big need for software tools that allow …

Efficient step size selection for the tau-lea** simulation method

Y Cao, DT Gillespie, LR Petzold - The Journal of chemical physics, 2006 - pubs.aip.org
The tau-lea** method of simulating the stochastic time evolution of a well-stirred
chemically reacting system uses a Poisson approximation to take time steps that leap over …

Perspective: Stochastic algorithms for chemical kinetics

DT Gillespie, A Hellander, LR Petzold - The Journal of chemical …, 2013 - pubs.aip.org
We outline our perspective on stochastic chemical kinetics, paying particular attention to
numerical simulation algorithms. We first focus on dilute, well-mixed systems, whose …

Stochastic population dynamics in spatially extended predator–prey systems

U Dobramysl, M Mobilia, M Pleimling… - Journal of Physics A …, 2018 - iopscience.iop.org
Spatially extended population dynamics models that incorporate demographic noise serve
as case studies for the crucial role of fluctuations and correlations in biological systems …

Approximate moment dynamics for chemically reacting systems

A Singh, JP Hespanha - IEEE Transactions on Automatic …, 2010 - ieeexplore.ieee.org
In the stochastic formulation of chemical kinetics, the differential equation that describes the
time evolution of the lower-order statistical moments for the number of molecules of the …

Accurate hybrid stochastic simulation of a system of coupled chemical or biochemical reactions

H Salis, Y Kaznessis - The Journal of chemical physics, 2005 - pubs.aip.org
With the observation that biological systems are inherently stochastic, 1 the topic of
stochastic chemical kinetics has received wider interest. 2–9 By representing the chemically …

Gillespie-driven kinetic Monte Carlo algorithms to model events for bulk or solution (bio) chemical systems containing elemental and distributed species

AD Trigilio, YW Marien… - Industrial & …, 2020 - ACS Publications
Stochastic modeling techniques have emerged as a powerful tool to study the time evolution
of processes in many research fields including (bio) chemical engineering and biology. One …