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Approximate accelerated stochastic simulation of chemically reacting systems
Open accessAbstract
The stochastic simulation algorithm (SSA) is an essentially exact procedure for numerically simulating the time evolution of a well-stirred chemically reacting system. Despite recent major improvements in the efficiency of the SSA, its drawback remains the great amount of computer time that is often required to simulate a desired amount of system time. Presented here is the “τ-leap” method, an approximate procedure that in some circumstances can produce significant gains in simulation speed with acceptable losses in accuracy. Some primitive strategies for control parameter selection and error mitigation for the τ-leap method are described, and simulation results for two simple model systems are exhibited. With further refinement, the τ-leap method should provide a viable way of segueing from the exact SSA to the approximate chemical Langevin equation, and thence to the conventional deterministic reaction rate equation, as the system size becomes larger.
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Metadata
- Authors
- Gillespie, D. T.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2001-07-22
- Volume
- 115
- Issue
- 4
- Pages
- 1716-1733
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2084924279
- Cited by
- 1,884
- References
- 0
- FWCI
- 6.08
- Type
- journal article
- Language
- en
- Open access
- green
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