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 |