Dresden 2020 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 106: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions V (joint session O/CPP/DS/HL)

Donnerstag, 19. März 2020, 15:00–17:30, GER 38

15:00 O 106.1 Hauptvortrag: Huge quantum effects on the 250 K superconducting lanthanum hydride — •Ion Errea
15:30 O 106.2 Self-Interaction Corrected SCAN for Solids: All-Electron Implementation with Numeric Atom-Centered Basis Functions — •Sheng Bi, Igor Ying Zhang, Christian Carbogno, and Matthias Scheffler
15:45 O 106.3 Understanding the lattice dynamics of 3D hexagonal boron nitride (h-BN): beyond the LDA approach — •Luigi Cigarini, Michal Novotný, and František Karlický
16:00 O 106.4 Error Estimation of Energy-per-Atom of Semiconductor Compounds Using Statistical Learning — •Daniel T. Speckhard, Sven Lubeck, Christian Carbogno, Luca Ghiringhelli, Claudia Draxl, and Matthias Scheffler
16:15 O 106.5 Force balance approach for advanced approximations in density functional theories — •Mary Leena Tchenkoue, Markus Penz, Iris Theophilou, Michael Ruggenthaler, and Angel Rubio
16:30 O 106.6 Combining embedded mean field theory with linear-scaling density functional theory — •Joseph Prentice, Robert Charlton, Arash Mostofi, and Peter Haynes
16:45 O 106.7 Topological semimetallic phase in PbO2 promoted by temperature — •Bo Peng, Ivona Bravić, Judith L. MacManus-Driscoll, and Bartomeu Monserrat
17:00 O 106.8 How Electric Fields Affect Intermolecular van der Waals Interactions — •Mohammad Reza Karimpour, Dmitry Fedorov, and Alexandre Tkatchenko
17:15 O 106.9 Electronic structure of β-SiAlON: effect of Al/O doping and of finite temperature — •Saleem Ayaz Khan, Ondrej Šipr, Jiří Vackář, Robin Niklaus, Wolfgang Schnick, and Jan Minár
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