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Dresden 2017 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 68: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - VII

Thursday, March 23, 2017, 16:00–18:30, GER 38

16:00 MM 68.1 Invited Talk: Spectacular success of DFT in predicting novel topological phases — •Arun Bansil
16:30 MM 68.2 Interlayer excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures — •Simone Latini
16:45 MM 68.3 Trionic effects in graphene nanoribbons and further nanomaterials — •Thorsten Deilmann and Kristian Sommer Thygesen
17:00 MM 68.4 Interface Structure Prediction using the Ab Initio Random Structure Searching Method — •Georg Schusteritsch and Chris Pickard
17:15 MM 68.5 Predicting new materials and their properties with supercomputers: the example of perovskites — •Silvana Botti and Miguel A.L. Marques
17:30 MM 68.6 Spectral property prediction with artificial neural networks — •Annika Stuke, Milica Todorovic, Kunal Ghosh, Aki Vehtari, and Patrick Rinke
17:45 MM 68.7 Machine-Learning Based Interatomic Potential for Amorphous Carbon — •Volker Deringer and Gábor Csányi
18:00 MM 68.8 High-throughput computational search for new high mobility transparent (semi)conducting materials — •Geoffroy Hautier, Joel Varley, Anna Miglio, David Waroquiers, Viet-Anh Ha, and Gian-Marco Rignanese
18:15 MM 68.9 Cross-validation in the cluster expansion method — •Axel Hübner, Santiago Rigamonti, and Claudia Draxl
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