First-passage Monte Carlo Algorithm: Diffusion Without All the Hops

Overview

Journal Phys Rev Lett

Publisher American Physical Society

Specialty Biophysics

Date 2007 Feb 7

PMID 17280187

Citations 17

Authors

Tomas Opplestrup

Vasily V Bulatov

George H Gilmer

Malvin H Kalos

Babak Sadigh

Affiliations

Soon will be listed here.

Abstract

We present a novel Monte Carlo algorithm for N diffusing finite particles that react on collisions. Using the theory of first-passage processes and time dependent Green's functions, we break the difficult N-body problem into independent single- and two-body propagations circumventing numerous diffusion hops used in standard Monte Carlo simulations. The new algorithm is exact, extremely efficient, and applicable to many important physical situations in arbitrary integer dimensions.

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