GPU implementations of some many-body potentials for molecular dynamics simulations
Authors:
- Alexander S. MinkinAMAlexander S. Minkin
- Andrey A. KnizhnikAKAndrey A. Knizhnik
- Boris V. PotapkinBPBoris V. Potapkin
- 1 September 2017
- journal article
- Published by Elsevier in Advances in Engineering Software
- Vol. 111, 43-51
Abstract
No abstract availableKeywords
Funding Information
- Russian Foundation for Basic Research (15-29-01291)
This publication has 24 references indexed in Scilit:
- A performance comparison of different graphics processing units running direct -body simulationsComputer Physics Communications, 2013
- A Tersoff‐based interatomic potential for wurtzite AlNPhysica Status Solidi (a), 2011
- General purpose molecular dynamics simulations fully implemented on graphics processing unitsJournal of Computational Physics, 2008
- Scalable molecular dynamics with NAMDJournal of Computational Chemistry, 2005
- Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitrideJournal of Physics: Condensed Matter, 2003
- GROMACS: A message-passing parallel molecular dynamics implementationComputer Physics Communications, 1995
- Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond filmsPhysical Review B, 1990
- Relationship between the embedded-atom method and Tersoff potentialsPhysical Review Letters, 1989
- Modeling solid-state chemistry: Interatomic potentials for multicomponent systemsPhysical Review B, 1989
- Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metalsPhysical Review B, 1984