Hybrid Quantum/Classical Modeling of Material Systems: The "Learn on the Fly" Molecular Dynamics Scheme

Abstract

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Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1007/978-1-4020-9785-0_1

Publication URI: http://dx.doi.org/10.1007/978-1-4020-9785-0_1

Type: Book Chapter

Book Title: Trends in Computational Nanomechanics - Transcending Length and Time Scales (2010)

Page Reference: 1-23

ISBN: 978-1-4020-9784-3