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

Abstract

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.

10 pages, 3 tables, 15 figures

References in corpus (1)

• Trotter Derivation of Algorithms for Brownian and Dissipative Particle Dynamics