MM 54: Computational Materials Modelling - Defects & Interfaces II
Thursday, March 14, 2013, 11:45–13:00, H24
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11:45 |
MM 54.1 |
Neural Network Studies of the Interface between Copper and Zinc Oxide — •Björn Hiller, Nongnuch Artrith, and Jörg Behler
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12:00 |
MM 54.2 |
Ab initio stacking fault energy calculations in Mg-Y alloys — •Zongrui Pei, Stefanie Sandloebes, Stefan Zaefferer, Alexey Dick, Martin Friak, Li-Fang Zhu, Sangbong Yi, Dietmar Letzig, Dierk Raabe, and Joerg Neugebauer
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12:15 |
MM 54.3 |
Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg-Y alloys — •Li-Fang Zhu, Zongrui Pei, Stefanie Sandloebes, Johann Pezold, Martin Friak, Stefan Zaefferer, Howard Sheng, Chris Race, Bob Svendsen, Dierk Raabe, and Joerg Neugebauer
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12:30 |
MM 54.4 |
Surface chemistry in a full-potential QM/MM approach: making hybrids affordable — •Daniel Berger, Volker Blum, and Karsten Reuter
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12:45 |
MM 54.5 |
Reliable Modeling of Complex Organic/Metal Interfaces — •Wei Liu, Sergey Filimonov, Victor G. Ruiz, Matthias Scheffler, and Alexandre Tkatchenko
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