Anton Kokalj

Dr. Anton Kokalj

Department of Physical and Organic Chemistry, Jožef Stefan Institute, Ljubljana, Slovenia
orcid

Research Focus & Metrics

Academic Career Length

28Years (1999-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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1 September 2009 in Journal of Physics: Condensed Matter
Verified
Journal Article
Closed access
PGPaolo Giannozzi
Paolo Giannozzi
SBStefano Baroni
Stefano Baroni
NBNicola Bonini
Nicola Bonini
MCMatteo Calandra
Matteo Calandra
RCRoberto Car
Roberto Car
RWRenata M Wentzcovitch
Renata M Wentzcovitch
QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

1 October 2003 in Computational Materials Science
Verified
Journal Article
Closed access
AKAnton Kokalj
Anton Kokalj

1 June 1999 in Journal of Molecular Graphics and Modelling
Verified
Journal Article
Closed access
AKAnton Kokalj
Anton Kokalj

1 January 2012 in Chemical Physics
Verified
Journal Article
Closed access
AKAnton Kokalj
Anton Kokalj

1 March 2022 in Corrosion Science
Verified
Journal Article
Open access
AKAnton Kokalj
Anton Kokalj

29 October 2010 in Journal of the American Chemical Society
Verified
Journal Article
Closed access
AKAnton Kokalj
Anton Kokalj
SPSebastijan Peljhan
Sebastijan Peljhan
Matjaž FinšgarMatjaž Finšgar
Matjaž Finšgar
IMIngrid Milošev
Ingrid Milošev