Research Repository

Combining linear-scaling DFT with subsystem DFT in born-oppenheimer and ehrenfest molecular dynamics simulations: From molecules to a virus in solution

Andermatt, S, Cha, J, Schiffmann, Florian ORCID: 0000-0002-1355-8084 and VandeVondele, J (2016) Combining linear-scaling DFT with subsystem DFT in born-oppenheimer and ehrenfest molecular dynamics simulations: From molecules to a virus in solution. Journal of Chemical Theory and Computation, 12 (7). 3214 - 3227. ISSN 1549-9618

Full text for this resource is not available from the Research Repository.
Item Type: Article
Uncontrolled Keywords: nanoparticles; carbon nanotubes; density functional theory; eISSN: 1549-9626
Subjects: FOR Classification > 0204 Condensed Matter Physics
Faculty/School/Research Centre/Department > College of Business
Depositing User: Symplectic Elements
Date Deposited: 18 Jun 2017 23:36
Last Modified: 26 Oct 2017 02:46
URI: http://vuir.vu.edu.au/id/eprint/34017
DOI: https://doi.org/10.1021/acs.jctc.6b00398
ePrint Statistics: View download statistics for this item
Citations in Scopus: 13 - View on Scopus

Repository staff only

View Item View Item

Search Google Scholar