dorsal/arxiv
View SchemaA molecular-dynamics algorithm for mixed hard-core/continuous potentials
| Authors | Yao A. Houndonougbo, Brian B. Laird, Benedict J. Leimkuhler |
|---|---|
| Categories | |
| ArXiv ID | physics/9904066 |
| URL | https://arxiv.org/abs/physics/9904066 |
| DOI | 10.1080/002689700162586 |
Abstract
We present a new molecular-dynamics algorithm for integrating the equations of motion for a system of particles interacting with mixed continuous/impulsive forces. This method, which we call Impulsive Verlet, is constructed using operator splitting techniques similar to those that have been used successfully to generate a variety molecular-dynamics integrators. In numerical experiments, the Impulsive Verlet method is shown to be superior to previous methods with respect to stability and energy conservation in long simulations.
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"date_created": "2026-03-02T18:01:25.374000Z",
"date_modified": "2026-03-02T18:01:25.374000Z",
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"abstract": "We present a new molecular-dynamics algorithm for integrating the equations\nof motion for a system of particles interacting with mixed continuous/impulsive\nforces. This method, which we call Impulsive Verlet, is constructed using\noperator splitting techniques similar to those that have been used successfully\nto generate a variety molecular-dynamics integrators. In numerical experiments,\nthe Impulsive Verlet method is shown to be superior to previous methods with\nrespect to stability and energy conservation in long simulations.",
"arxiv_id": "physics/9904066",
"authors": [
"Yao A. Houndonougbo",
"Brian B. Laird",
"Benedict J. Leimkuhler"
],
"categories": [
"physics.chem-ph",
"physics.comp-ph"
],
"doi": "10.1080/002689700162586",
"title": "A molecular-dynamics algorithm for mixed hard-core/continuous potentials",
"url": "https://arxiv.org/abs/physics/9904066"
},
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