VASP on a GPU: Application to exact-exchange calculations of the stability of elemental boron
- 1 July 2012
- journal article
- Published by Elsevier BV in Computer Physics Communications
- Vol. 183 (7), 1422-1426
- https://doi.org/10.1016/j.cpc.2012.02.017
Abstract
No abstract availableKeywords
Funding Information
- PETTT (PP-CCM-KY02-123-P3)
- National Science Foundation
- Pittsburgh Supercomputing Center
This publication has 27 references indexed in Scilit:
- Speeding up plane-wave electronic-structure calculations using graphics-processing unitsComputer Physics Communications, 2011
- Ionic high-pressure form of elemental boronNature, 2009
- Chemistry on the computerPhysics Today, 2008
- The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis setThe Journal of Chemical Physics, 2005
- Linear scaling electronic structure methodsReviews of Modern Physics, 1999
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Quantum Chemistry and Molecular ProcessesThe Journal of Physical Chemistry, 1996
- The Structure of β-Rhombohedral BoronJournal of the American Chemical Society, 1963
- An Analysis of Polymorphism in Boron Based upon X-Ray Diffraction Results1Journal of the American Chemical Society, 1960
- A NEW CRYSTALLINE MODIFICATION OF BORONJournal of the American Chemical Society, 1958