Stiffness in stochastic chemically reacting systems: The implicit tau-leaping method
Abstract
We show how stiffness manifests itself in the simulation of chemical reactions at both the continuous-deterministic level and the discrete-stochastic level. Existing discrete stochastic simulation methods, such as the stochastic simulation algorithm and the (explicit) tau-leaping method, are both exceedingly slow for such systems. We propose an implicit tau-leaping method that can take much larger time steps for many of these problems.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- December 2003
- DOI:
- Bibcode:
- 2003JChPh.11912784R
- Keywords:
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- 82.20.Uv;
- 82.20.Wt;
- 82.30.-b;
- Stochastic theories of rate constants;
- Computational modeling;
- simulation;
- Specific chemical reactions;
- reaction mechanisms