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Dresden 2006 – scientific programme

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MM: Metall- und Materialphysik

MM 33: Symposium Materials Modelling II

Thursday, March 30, 2006, 14:45–16:30, IFW A

14:45 MM 33.1 Fachvortrag: The first coarse-graining step in alloy theory from the electronic to the atomic level: Transferable potentials and cluster-expansion method — •Manfred Fähnle, Ralf Drautz, Alessandro Diaz-Ortiz, Frank Lechermann, Reinhard Singer, and Helmut Dosch
15:15 MM 33.2 Efficient tools for the surface cluster expansion of binary alloy surfaces — •Ole Wieckhorst and Stefan Müller
15:30 MM 33.3 Ab initio calculation of thermodynamic properties of metals: xc-related error bars and chemical trends — •Blazej Grabowski, Tilmann Hickel, Sixten Boeck, and Jörg Neugebauer
15:45 MM 33.4 First Principles Calculations of the Elastic Constants of Fe-Pt Phases — •Nikolay Zotov and Alfred Ludwig
16:00 MM 33.5 Temperature dependent properties of Ni2MnGa — •Tilmann Hickel, Blazej Grabowski, Oliver Marquardt, and Jörg Neugebauer
16:15 MM 33.6 High-precision mixed-space cluster expansion for Cu-rich Cu-Pd alloys: Controlling the LPS group — •S. Bärthlein, G.L.W. Hart, A. Zunger, and S. Müller
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