| Scheduled Conference | Title | |
| III Workshop on Novel Methods for Electronic Structure Calculations | A Theoretical study of hydrogen accumulation on tetrahedral sites in Laves Phases | Abstract |
| S.B. Gesari, M.E. Pronsato, A. Visintin, Alfredo Juan | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Ab initio study of magnetism at the TiO2/LaAlO3 interface | Abstract |
| Mariana Weissmann, Valeria Ferrari, Andres Saul | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Ab-initio molecular dynamics: a virtual window into matter at extreme conditions | Abstract |
| Sandro Scandolo | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | An accurate method to calculate band gaps | Abstract |
| Luiz Guimaraes Ferreira, Lara K Teles, Marcelo Marques | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Calculating of binding energy of excitons within DFT-BSE formalism in wurtzite semiconductors | Abstract |
| Robert Laskowski | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Computer simulations study of amorphous compounds | Abstract |
| Gonzalo Gutierrez, E. Menéndez-Proupin, Claudia Loyola, Joaquín Peralta | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Electronic and Optical Properties of CuAlO2: DFT/LDA and Beyound | Abstract |
| Niels Egede Christensen | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Electronic Structure Calculations using Augmented Wave Methods: from DNA to Phase Diagrams | Abstract |
| Helena Maria Petrilli | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | gamma'-Fe4N: facts and open questions | Abstract |
| Stefaan Cottenier | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Large Curie Temperatures for Co doped CeO2-: can we explain it? | Abstract |
| Valeria Ferrari, Ana María Llois, Verónica Vildosola | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Magnetic impurities in graphene bilayer | Abstract |
| Javier Guevara | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Magnetic solution in Ta-dopped monoclinic HfO2 | Abstract |
| Marcela Taylor, Roberto Alonso, Leonardo A. Errico, Alberto López-García, Axel Svane, Niels E. Christensen | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Magnetism and chain formation in break junctions studied with one-dimensional FLAPW method | Abstract |
| Alexander Thiess, Yuriy Mokrousov, Stefan Heinze, Stefan Bluegel | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Materials science with WIEN2k: accuracy, efficiency and new features | Abstract |
| Peter Blaha | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Mechanical and electronic features of carbon nanoestructures | Abstract |
| Ricardo Faccio | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Site localization of Cd impurities in Sapphire | Abstract |
| Germán Nicolás Darriba, Mario Rentería, María Helena Petrilli | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Structure predictions for Fe and Fe-Ni alloys at pressures and temperatures relevant for the Earth's inner core | Abstract |
| Stefaan Cottenier, Veronique Van Speybroeck, Michel Waroquier | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | Surface electronic properties of selected materials | Abstract |
| Silvano J. Sferco | ||
| III Workshop on Novel Methods for Electronic Structure Calculations | The effect of the supporting oxide on the activity of vanadia catalysts | Abstract |
| Maria Veronica Ganduglia Pirovano | ||
| 1 - 19 of 19 Items | ||
