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Asynchronous Event-Driven Particle Algorithms

Lawrence Livermore National Laboratory P.O. Box 808, L-367 Livermore, CA 94551-9900, US aleks.donev{at}gmail.com

We present, in a unifying way, the main components of three asynchronous event-driven algorithms for simulating physical systems of interacting particles. The first example, hard-particle molecular dynamics, is well known. We also present a recently developed diffusion kinetic Monte Carlo algorithm, as well as a novel stochastic molecular-dynamics algorithm that builds on the Direct Simulation Monte Carlo. We explain how to effectively combine asynchronous event-driven with classical time-driven or with synchronous event-driven handling. Finally, we discuss some promises and challenges for event-driven simulation of realistic physical systems.

Key Words: Asynchronous • particle systems • event-driven • kinetic Monte Carlo • molecular dynamics

SIMULATION, Vol. 85, No. 4, 229-242 (2009)
DOI: 10.1177/0037549708097881


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