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Berlin 2024 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 10: Focus Session: Frontiers of Electronic-Structure Theory – Advances in Time-Dependent and Nonequilibrium Ab Initio Methods II

Montag, 18. März 2024, 15:00–17:15, HE 101

15:00 O 10.1 Thermoelectric efficiency in multiterminal quantum thermal machines from steady-state density functional theory — •Nahual Sobrino, Roberto D'Agosta, and Stefan Kurth
15:15 O 10.2 Anisotropic Charge, Thermal, and Thermoelectric Transport in β-Ga2O3 from First Principles — •Sebastian Tillack, Nakib Protik, and Claudia Draxl
  15:30 O 10.3 The contribution has been moved to O 34.6.
  15:45 O 10.4 The contribution has been withdrawn.
16:00 O 10.5 Multi-channel Dyson equation: coupling many-body Green’s functions — •Arjan Berger
16:15 O 10.6 Third-order susceptibility of crystalline materials from time-dependent density functional theory — •Xiao Chen
16:30 O 10.7 Linear scaling approach for optical excitations using maximally localized Wannier functions — •Konrad Merkel and Frank Ortmann
16:45 O 10.8 Exploiting Crystal Symmetry in the LAPW Method — •Mara Voiculescu, Sven Lubeck, and Claudia Draxl
17:00 O 10.9 Brillouin zone sampling in ONETEP — •Chengcheng Xiao, Peter Haynes, and Arash Mostofi
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