MM 54: Computational Materials Modelling - Defects & Interfaces II
Donnerstag, 14. März 2013, 11:45–13:00, H24
![](/static/ip/plus.gif) |
11:45 |
MM 54.1 |
Neural Network Studies of the Interface between Copper and Zinc Oxide — •Björn Hiller, Nongnuch Artrith, and Jörg Behler
|
|
|
![](/static/ip/plus.gif) |
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
|
|
|
![](/static/ip/plus.gif) |
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
|
|
|
![](/static/ip/plus.gif) |
12:30 |
MM 54.4 |
Surface chemistry in a full-potential QM/MM approach: making hybrids affordable — •Daniel Berger, Volker Blum, and Karsten Reuter
|
|
|
![](/static/ip/plus.gif) |
12:45 |
MM 54.5 |
Reliable Modeling of Complex Organic/Metal Interfaces — •Wei Liu, Sergey Filimonov, Victor G. Ruiz, Matthias Scheffler, and Alexandre Tkatchenko
|
|
|