Article Dans Une Revue The Journal of Chemical Physics Année : 2009

Fast algorithms for classical X→0 diffusion-reaction processes

Fabrice Thalmann
Nam-Kyung Lee

Résumé

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-->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.

Dates et versions

hal-04610272 , version 1 (12-06-2024)

Identifiants

Citer

Fabrice Thalmann, Nam-Kyung Lee. Fast algorithms for classical X→0 diffusion-reaction processes. The Journal of Chemical Physics, 2009, 130 (7), pp.074102. ⟨10.1063/1.3072706⟩. ⟨hal-04610272⟩
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