Kadam, Shantanu and Vanka, Kumar (2011) A New Approximate Method for the Stochastic Simulation of Chemical Systems: The Representative Reaction Approach. Journal of Computational Chemistry, 33 (3). pp. 276-285. ISSN 1096-987X

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Abstract

We have developed two new approximate methods for stochastically simulating chemical systems. The methods are based on the idea of representing all the reactions in the chemical system by a single reaction, i.e., by the “representative reaction approach” (RRA). Discussed in the paper are the concepts underlying the new methods along with flowchart with all the steps required for their implementation. It is shown that the two RRA methods{with the reaction as the representative reaction (RR)} perform creditably with regard to accuracy and computational efficiency, in comparison to the exact stochastic simulation algorithm (SSA) developed by Daniel Gillespie and are able to successfully reproduce at least the first two moments of the probability distribution of each species in the systems studied. As such, the RRA methods represent a promising new approach for stochastically simulating chemical systems.

Item Type: Article
Uncontrolled Keywords: stochastic simulation
Subjects: Theory and Computational Science
Divisions: UNSPECIFIED
Depositing User: Mr Shantanu Kadam
Date Deposited: 13 Feb 2012 06:52
Last Modified: 13 Feb 2012 06:52
URI: http://ncl.csircentral.net/id/eprint/96

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