Berlin 2018 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 34: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials VII (joint session O/TT/MM/DS/CPP)

Donnerstag, 15. März 2018, 15:00–17:45, HL 001

Organizers: Silke Biermann, Ecole Polytechnique, Palaiseau cedex, France Paul R. Kent, Oak Ridge National Laboratory, USA Matthias Scheffler, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

(Synopsis provided with part I of this session)

15:00 DS 34.1 Hauptvortrag: Recent developments in FCIQMC: real-time propagation and improved convergence with walker number — •Ali Alavi
  15:45 DS 34.2 The contribution has been withdrawn.
15:45 DS 34.3 High temperature superconducting oxychlorides: a light element model for cuprates — •Matteo d’Astuto, Blair Lebert, Ikuya Yamada, and Masaki Azuma
16:00 DS 34.4 Antiferromagnetic correlations in the metallic strongly correlated transition metal oxide LaNiO3 — •Hanjie Guo, Zhiwei Li, Li Zhao, Zhiwei Hu, Chunfu Chang, Changyang Kuo, Wolfgang Schmidt, Andrea Piovano, Tunwen Pi, Oleg Sobolev, Daniel Khomskii, Liu Hao Tjeng, and Alexander Komarek
16:15 DS 34.5 Hubbard interactions from density-functional perturbation theory — •Iurii Timrov, Nicola Marzari, and Matteo Cococcioni
16:30 DS 34.6 Reduced Density Matrix Theory for Coupled Fermion-Boson Systems — •Florian Buchholz, Iris Theophilou, Michael Ruggenthaler, Heiko Appel, and Angel Rubio
16:45 DS 34.7 Critical temperatures as function of magnetic anisotropy in two-dimensional systems from first-principles calculations — •Daniele Torelli
17:00 DS 34.8 Oxygen vacancy-induced absorption of visible light in SrNbO3 — •Marcello Turtulici, Steffen Backes, and Silke Biermann
17:15 DS 34.9 Transient charge and energy flow in the wide-band limitFabio Covito, •Florian Eich, Riku Tuovinen, Michael Sentef, and Angel Rubio
17:30 DS 34.10 From DFT to Coupled Cluster Theory - Understanding Oxygen Activation on Coin Metal Nanoparticles — •Wilke Dononelli and Thorsten Klüner
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