CUED Publications database

A novel quantum/classical hybrid simulation technique

Payne, MC and Csanyi, G and Albaret, T and De Vita, A (2005) A novel quantum/classical hybrid simulation technique. CHEMPHYSCHEM, 6. pp. 1731-1734. ISSN 1439-4235

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Item Type: Article
Uncontrolled Keywords: ab initio calculations cracks molecular dynamics molecular modeling silicon DENSITY-FUNCTIONAL/MOLECULAR-DYNAMICS LARGE SYSTEMS SILICON FRACTURE SCHEME
Divisions: Div C > Applied Mechanics
Depositing User: Cron Job
Date Deposited: 17 Jul 2017 19:54
Last Modified: 18 Feb 2021 15:50
DOI: 10.1002/cphc.200400585