Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
By Joost VandeVondele, Matthias Krack, F. Mohamed, Michele Parrinello, T. Chassaing, Juerg Hutter. Computer Physics Communications, 2005
5,065 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics
View Paper: https://www.semanticscholar.org/paper/de8a38c63fec590132b531dde3e1c5ecddef2f3e
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In Atomic and Molecular Physics, and Optics
- Marcella Iannuzzi
- F. Schiffmann
- Juerg Hutter
- Joost VandeVondele
- T. Bartels-Rausch
- Xiandong Liu
- Rucheng Wang
- Michiel Sprik
Citations in the corpus
- cp2k: atomistic simulations of condensed matter systems (2014, methodology): “For the combination of MD with electronic structure methods, Born–Oppen-heimer (BO) MD is employed [19, 20].”