DPG Phi
Verhandlungen
Verhandlungen
DPG

Dresden 2014 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

MM: Fachverband Metall- und Materialphysik

MM 10: Computational Materials Modelling II - Theory/Numerics

Monday, March 31, 2014, 11:45–13:15, IFW D

11:45 MM 10.1 Accurate ab-initio elastic properties at 0K and above: The ElaStic tool — •Jürgen Spitaler, Rostam Golesorkhtabar, Pasquale Pavone, Claudia Draxl, and Peter Puschnig
12:00 MM 10.2 KKRnano: DFT for nano-scale systems — •Elias Rabel, Rudolf Zeller, and Stefan Blügel
12:15 MM 10.3 Large scale supercell calculations for forces around substitutional defects in NiTi — •Rudolf Zeller
12:30 MM 10.4 Analytic Bond-Order Potential for Fe and Fe-C — •Sebastian Schreiber, Thomas Hammerschmidt, and Ralf Drautz
12:45 MM 10.5 Efficient implementation of analytic bond-order potentials — •Thomas Hammerschmidt, Sebastian Schreiber, Bernhard Seiser, Michael Ford, David Pettifor, and Ralf Drautz
13:00 MM 10.6 Self-energy electronic structure renormalization effects in first-principles calculations of solids — •Alberto Marmodoro, Arthur Ernst, Paolo Trevisanutto, and Leonid Sandratskii
100% | Mobile Layout | Deutsche Version | Contact/Imprint/Privacy
DPG-Physik > DPG-Verhandlungen > 2014 > Dresden