A "partitioned leaping" approach for multiscale modeling of chemical reaction dynamics.
We present a novel multiscale simulation approach for modeling stochasticity in chemical reaction networks. The approach seamlessly integrates exact-stochastic and "leaping" methodologies into a single partitioned leaping algorithmic framework. The technique correctly accounts for stochastic noise at significantly reduced computational cost, requires the definition of only three model-independent parameters, and is particularly well suited for simulating systems containing widely disparate species populations. We present the theoretical foundations of partitioned leaping, discuss various options for its practical implementation, and demonstrate the utility of the method via illustrative examples.
Harris
Leonard A
LA
School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853, USA. lh64@cornell.edu
Clancy
Paulette
P
D003198:Computer Simulation; D003627:Data Interpretation, Statistical; D008956:Models, Chemical; D008957:Models, Genetic; D013269:Stochastic Processes