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HL 54: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions IV (joint session O/CPP/DS/HL)
Wednesday, March 18, 2020, 15:00–17:30, GER 38
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15:00 |
HL 54.1 |
Invited Talk:
Electron-phonon interactions in realistic materials — •Fabio Caruso
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15:30 |
HL 54.2 |
Fully Anharmonic, Non-Perturbative First-Principles Theory of Electronic-Vibrational Coupling in Solids — Marios Zacharias, Matthias Scheffler, and •Christian Carbogno
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15:45 |
HL 54.3 |
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
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16:00 |
HL 54.4 |
Precise yet Fast High-Throughput Search for Thermal Insulators — •Florian Knoop, Thomas A.R. Purcell, Matthias Scheffler, and Christian Carbogno
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16:15 |
HL 54.5 |
Ambivalent Impact of Electron-Phonon Interaction on Electronic and Transport Properties of Organic Semiconductors — •Frank Ortmann
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16:30 |
HL 54.6 |
Quantum Nuclear Effects in Thermal Transport of Semiconductors and Insulators — •Hagen-Henrik Kowalski, Mariana Rossi, Matthias Scheffler, and Christian Carbogno
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16:45 |
HL 54.7 |
Speeding-up ab initio molecular dynamics with hybrid functionals using adaptively compressed exchange operator based multiple time stepping — •Sagarmoy Mandal and Nisanth N. Nair
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17:00 |
HL 54.8 |
Calculation of current-induced heating and vibrational instabilities in single molecule circuits — Giuseppe Foti and •Hector Vazquez
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17:15 |
HL 54.9 |
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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