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O: Fachverband Oberflächenphysik

O 108: Electronic Structure Theory II

Friday, March 22, 2024, 10:30–12:30, MA 043

10:30 O 108.1 Downfolding approaches to electron-phonon coupling — •Jan Berges, Nina Girotto, Arne Schobert, Erik van Loon, Michael Sentef, Sergey Brener, Mariana Rossi, Tim Wehling, Samuel Poncé, and Nicola Marzari
10:45 O 108.2 All-electron Periodic GW Method with Numeric Atom-centered Orbitals: Systematic Benchmark and Application to Temperature-dependent Band Structure — •Min-Ye Zhang, Uthpala Herath, Volker Blum, Xinguo Ren, Hong Jiang, and Matthias Scheffler
11:00 O 108.3 A Multimer Embedding Approach for Molecular Crystals up to Anharmonic Vibrational Properties — •Johannes Hoja, Alexander List, and Adrian Daniel Boese
11:15 O 108.4 Interpreting ultrafast electron transfer on surfaces with first-principles electronic couplings — •Simiam Ghan, Elias Diesen, Christian Kunkel, Karsten Reuter, and Harald Oberhofer
11:30 O 108.5 Efficient Force Implementation for Implicit Solvation in All-Electron Full-Potential DFTDaniel Waldschmidt, •Jakob Filser, and Harald Oberhofer
11:45 O 108.6 A comprehensive exploration of structural and electronic properties of Molybdenum clusters — •Yao Wei, Alejandro Santana Bonilla, and Lev Kantorovich
12:00 O 108.7 Benchmark Auxiliary-Field Quantum Monte Carlo Method — •Zoran Sukurma, Martin Schlipf, Moritz Humer, Amir Taheridehkordi, and Georg Kresse
12:15 O 108.8 Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solidsAmir Taheridehkordi, Martin Schlipf, Zoran Sukurma, •Moritz Humer, and Georg Kresse
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