Anton Kokalj

Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale

Anton Kokalj, A. Kokalj, 2003 .

Computer-Aided Design of the Reaction Site in Heterogeneous Catalysis

Anton Kokalj, A. Kokalj, 2009, Encyclopedia of Complexity and Systems Science.

QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization

Carlo Cavazzoni, Paolo Giannozzi, Guido Fratesi, 2018 .

Beyond One-Electron Reaction in Li Cathode Materials: Designing Li2MnxFe1-xSiO4

Robert Dominko, Anton Kokalj, A. Kokalj, 2007 .

Engineering the reactivity of metal catalysts: a model study of methane dehydrogenation on Rh(111).

Stefano de Gironcoli, Stefano Baroni, Anton Kokalj, 2004, Journal of the American Chemical Society.

The interaction of ethylene with perfect and defective Ag(001) surfaces

Stefano de Gironcoli, Stefano Baroni, Anton Kokalj, 2002 .

Li2MnSiO4 as a potential Li-battery cathode material

Robert Dominko, Anton Kokalj, Miran Gaberšček, 2007 .

Co-adsorption of ethylene and oxygen on the Ag(0 0 1) surface

Stefano de Gironcoli, Stefano Baroni, Anton Kokalj, 2003 .

Advanced capabilities for materials modelling with Quantum ESPRESSO.

Carlo Cavazzoni, Guido Fratesi, Stefano de Gironcoli, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.