Dresden 2020 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 75: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions IV (joint session O/CPP/DS/HL)

Mittwoch, 18. März 2020, 15:00–17:30, GER 38

15:00 CPP 75.1 Hauptvortrag: Electron-phonon interactions in realistic materials — •Fabio Caruso
15:30 CPP 75.2 Fully Anharmonic, Non-Perturbative First-Principles Theory of Electronic-Vibrational Coupling in SolidsMarios Zacharias, Matthias Scheffler, and •Christian Carbogno
15:45 CPP 75.3 Thermal conductivity of highly-doped Si: Role of electron-phonon and point-defect phonon scattering — •Bonny Dongre, Jesús Carrete, Shihao Wen, Jinlong Ma, Wu Li, Natalio Mingo, and Georg KH Madsen
16:00 CPP 75.4 Precise yet Fast High-Throughput Search for Thermal Insulators — •Florian Knoop, Thomas A.R. Purcell, Matthias Scheffler, and Christian Carbogno
16:15 CPP 75.5 Ambivalent Impact of Electron-Phonon Interaction on Electronic and Transport Properties of Organic Semiconductors — •Frank Ortmann
16:30 CPP 75.6 Quantum Nuclear Effects in Thermal Transport of Semiconductors and Insulators — •Hagen-Henrik Kowalski, Mariana Rossi, Matthias Scheffler, and Christian Carbogno
16:45 CPP 75.7 Speeding-up ab initio molecular dynamics with hybrid functionals using adaptively compressed exchange operator based multiple time stepping — •Sagarmoy Mandal and Nisanth N. Nair
17:00 CPP 75.8 Calculation of current-induced heating and vibrational instabilities in single molecule circuitsGiuseppe Foti and •Hector Vazquez
17:15 CPP 75.9 Ab Initio Green-Kubo Approach of Charge Transport in Crystalline Solids — •Zhen-Kun Yuan, Marios Zacharias, Matthias Scheffler, and Christian Carbogno
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