Berlin 2024 – scientific programme
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O: Fachverband Oberflächenphysik
O 38: Poster: Electronic Structure Theory
Tuesday, March 19, 2024, 18:00–20:00, Poster D
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18:00 | O 38.1 | Pythonizing VASP: unleashing the power of collaboration in electronic structure theory — •Martin Schlipf, Sudarshan Vijay, and Georg Kresse |
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18:00 | O 38.2 | Accelerating plane-wave-based ab initio molecular dynamics by optimization of Fast-Fourier transforms for modern HPC architectures — •Christian Ritterhoff, Tobias Klöffel, Sagarmoy Mandal, and Bernd Meyer |
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18:00 | O 38.3 | Simulation of time-resolved RIXS spectra of laser-excited La2CuO4 based on multiplet ligand-field theory using Wannier orbitals — •Nils Brouwer, Maurits W. Haverkort, Sina Shokri, and Alexander I. Lichtenstein |