Fast algorithms for classical $X\to 0$ diffusion-reaction processes

Details Fast algorithms for classical $X\to 0$ diffusion-reaction processes Fast algorithms for classical $X\to 0$ diffusion-reaction processes

2010-04-07

arxiv.org/abs/1004.1090v1

Journal of Chemical Physics 130, 074102 (2009)

Physics

Condensed Matter

Statistical Mechanics

10 pages, 3 tables, 15 figures

Scientific paper

10.1063/1.3072706

The Doi formalism treats a reaction-diffusion process as a quantum many-body problem. We use this second quantized formulation as a starting point to derive a numerical scheme for simulating $X\to 0$ reaction-diffusion processes, following a well-established time discretization procedure. In the case of a reaction zone localized in the configuration space, this formulation provides also a systematic way of designing an optimized, multiple time step algorithm, spending most of the computation time to sample the configurations where the reaction is likely to occur.

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