Electronically coarse-grained molecular dynamics using quantum Drude oscillators

Jones A.P., Crain J., Cipcigan F.S., Sokhan V.P., Modani M., Martynaa G.J.
Keywords:

water, quantum Drude oscillator, path integral methods, coarse-grained model, many-body dispersion

Document type Article
Journal title / Source Molecular Physics
Peer-reviewed article 1
Volume 111
Issue 22-23
Page numbers / Article number 3465-3477
Publisher's name Taylor & Francis Group
Publisher's address (city only) Abingdon
Publication date 2013-10-8
DOI 10.1080/00268976.2013.843032
Web URL http://www.researchgate.net/publication/260967300_Electronically_coarse-grained_molecular_dynamics_using_quantum_Drude_oscillators
Language English

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