dorsal/arxiv
View SchemaEvent-Driven Molecular Dynamics in Parallel
| Authors | S. Miller, S. Luding |
|---|---|
| Categories | |
| ArXiv ID | physics/0302002 |
| URL | https://arxiv.org/abs/physics/0302002 |
| DOI | 10.1016/j.jcp.2003.08.009 |
Abstract
Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing event-driven molecular dynamics. Several basic ideas have been discussed in recent years, but to our knowledge no complete implementation has been published yet. In this paper we present a parallel event-driven algorithm including dynamic load-balancing, which can be easily implemented on any computer architecture. To simplify matters our explanations refer to a basic multi-particle system of hard spheres, but can be extended easily to a wide variety of possible models.
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"abstract": "Although event-driven algorithms have been shown to be far more efficient\nthan time-driven methods such as conventional molecular dynamics, they have not\nbecome as popular. The main obstacle seems to be the difficulty of\nparallelizing event-driven molecular dynamics. Several basic ideas have been\ndiscussed in recent years, but to our knowledge no complete implementation has\nbeen published yet. In this paper we present a parallel event-driven algorithm\nincluding dynamic load-balancing, which can be easily implemented on any\ncomputer architecture. To simplify matters our explanations refer to a basic\nmulti-particle system of hard spheres, but can be extended easily to a wide\nvariety of possible models.",
"arxiv_id": "physics/0302002",
"authors": [
"S. Miller",
"S. Luding"
],
"categories": [
"physics.comp-ph",
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"doi": "10.1016/j.jcp.2003.08.009",
"title": "Event-Driven Molecular Dynamics in Parallel",
"url": "https://arxiv.org/abs/physics/0302002"
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