Continuous-space event-driven simulations of reaction-diffusion processes in three dimensions

TL;DR

This paper presents an efficient event-driven simulation method for reaction-diffusion processes in three dimensions, utilizing Gillespie's Monte-Carlo approach to handle dilute systems without explicit diffusion simulation.

Contribution

The authors introduce a novel event-driven algorithm that efficiently simulates 3D reaction-diffusion processes by focusing on reaction events and statistical waiting times.

Findings

Efficient simulation of dilute 3D reaction-diffusion systems

Avoids explicit diffusion simulation, reducing computational cost

Applicable to large-scale, dilute systems in three dimensions

Abstract

We show that reaction-diffusion processes in three dimensions can be efficiently handled by event-driven numerical simulations, based on statistical waiting times (Gillespie's Monte-Carlo method). The algorithm is efficient for dilute systems, since diffusion is not simulated, only the result of diffusion between events needs to be implemented.