A first-passage kinetic Monte Carlo method for reaction-drift-diffusion processes

DOI10.1016/j.jcp.2013.12.023zbMath1349.82047arXiv1302.0793OpenAlexW2054171947WikidataQ60140968 ScholiaQ60140968MaRDI QIDQ348732

Jon K. Sigurdsson, Justin Shrake, Ava J. Mauro, Paul J. Atzberger, Samuel A. Isaacson

Publication date: 5 December 2016

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1302.0793

zbMATH Keywords

Fokker-Planck equationstochastic chemical kineticscell biologyfirst-passage kinetic Monte Carlostochastic reaction-diffusion

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Classical flows, reactions, etc. in chemistry (92E20) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31) Stochastic particle methods (65C35)

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First-passage time statistics on surfaces of general shape: surface PDE solvers using generalized moving least squares (GMLS) ⋮ On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes ⋮ Simulation of stochastic diffusion via first exit times ⋮ Numerical algorithms based on Galerkin methods for the modeling of reactive interfaces in photoelectrochemical (PEC) solar cells ⋮ Efficient Green's function reaction dynamics (GFRD) simulations for diffusion-limited, reversible reactions ⋮ Stochastic reaction-diffusion processes with embedded lower-dimensional structures ⋮ Reactive Boundary Conditions as Limits of Interaction Potentials for Brownian and Langevin Dynamics

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