02.05.17 | 14:15, B2.01 | Ors Legeza, Wigner Research Centre for Physics Budapest | Tensor Product Methods and Entanglement Optimization for Ab Initio Quantum Chemistry |
10.05.17 | | Christopher Penschke, HUB | Cerium dioxide as a support material in catalysis studied by DFT |
17.05.17 | | Petra Imhof, FUB | Structure, Function, and Dynamics - Insight from Molecular Simulations |
24.05.2017 | | Gerald Hörner, TU Berlin | Spin-Crossover in Slow Motion. Tuning of Reaction Coordinates |
07.06.17 | | David Egger, Uni Regensburg | First-Principles Calculations of Structural Dynamics in Lead-Halide Perovskites |
21.06.2017 | | Tao Xiong, UP | Vibrationally resolved spectra of perylene and its derivatives |
05.07.2017 | | Jan Götze | Ten years of theoretical carotinoid research – a new purpose for established compounds |
12.07.2017 | | Giacomo Melani, UP | H2O@α-Al2O3(0001): What have we learned so far? |
19.07.2017 | | Hossein Batebi, FU Berlin | A mechanistic study of the enzymatic excision mechanism in AP endonuclease APE1 |
06.09.2017 | | Kaoru Yamazaki, Tohoku University | Automated search on the nonradiative decay pathways of cinnamate based sunscreens |