Seminar Theoretical Chemistry

The seminar takes place on Wednesday from 14:15 till 15:45 in room D.1.02. It is a seminar for the workgroup, but all interested people, PhD students and other students are invited.

For questions please contact Jörg Megow megow(at)

datetime, roomspeaker, affiliationtitle
02.05.1714:15, B2.01Ors Legeza, Wigner Research Centre for Physics BudapestTensor Product Methods and Entanglement Optimization for Ab Initio Quantum Chemistry
10.05.17Christopher Penschke, HUBCerium dioxide as a support material in catalysis studied by DFT
17.05.17Petra Imhof, FUBStructure, Function, and Dynamics - Insight from Molecular Simulations
24.05.2017Gerald Hörner, TU BerlinSpin-Crossover in Slow Motion. Tuning of Reaction Coordinates
07.06.17David Egger, Uni RegensburgFirst-Principles Calculations of Structural Dynamics in Lead-Halide Perovskites
21.06.2017Tao Xiong, UPVibrationally resolved spectra of perylene and its derivatives
05.07.2017Jan GötzeTen years of theoretical carotinoid research – a new purpose for established compounds
12.07.2017Giacomo Melani, UPH2O@α-Al2O3(0001): What have we learned so far?
19.07.2017Hossein Batebi, FU BerlinA mechanistic study of the enzymatic excision mechanism in AP endonuclease APE1

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