Presentations and Authors

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Invited talks

Mechanical and electronic features of carbon nanoestructures Presentation (PDF)
Ricardo Faccio
Electronic and Optical Properties of CuAlO2: DFT/LDA and Beyound Presentation (PDF)
Niels Egede Christensen
gamma'-Fe4N: facts and open questions
Stefaan Cottenier
Structure predictions for Fe and Fe-Ni alloys at pressures and temperatures relevant for the Earth's inner core
Stefaan Cottenier, Veronique Van Speybroeck, Michel Waroquier
An accurate method to calculate band gaps Presentation (PDF)
Luiz Guimaraes Ferreira, Lara K Teles, Marcelo Marques
Magnetism and chain formation in break junctions studied with one-dimensional FLAPW method
Alexander Thiess, Yuriy Mokrousov, Stefan Heinze, Stefan Bluegel
Calculating of binding energy of excitons within DFT-BSE formalism in wurtzite semiconductors
Robert Laskowski
Site localization of Cd impurities in Sapphire
Germán Nicolás Darriba, Mario Rentería, María Helena Petrilli
Surface electronic properties of selected materials Presentation (PDF)
Silvano J. Sferco
Magnetic impurities in graphene bilayer Presentation (PDF)
Javier Guevara
Materials science with WIEN2k: accuracy, efficiency and new features Presentation (PDF)
Peter Blaha
The effect of the supporting oxide on the activity of vanadia catalysts
Maria Veronica Ganduglia Pirovano
Computer simulations study of amorphous compounds
Gonzalo Gutierrez, E. Menéndez-Proupin, Claudia Loyola, Joaquín Peralta
A Theoretical study of hydrogen accumulation on tetrahedral sites in Laves Phases Presentation (PDF)
S.B. Gesari, M.E. Pronsato, A. Visintin, Alfredo Juan
Magnetic solution in Ta-dopped monoclinic HfO2 Presentation (PDF)
Marcela Taylor, Roberto Alonso, Leonardo A. Errico, Alberto López-García, Axel Svane, Niels E. Christensen
Ab-initio molecular dynamics: a virtual window into matter at extreme conditions
Sandro Scandolo
Electronic Structure Calculations using Augmented Wave Methods: from DNA to Phase Diagrams
Helena Maria Petrilli
Ab initio study of magnetism at the TiO2/LaAlO3 interface Presentation (PDF)
Mariana Weissmann, Valeria Ferrari, Andres Saul
Large Curie Temperatures for Co doped CeO2-: can we explain it? Presentation (PDF)
Valeria Ferrari, Ana María Llois, Verónica Vildosola