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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 Foudhil Bouakline:

Seminar Winter 2022/2023

Date Time, Room Speaker, Affiliation Title
17.10.2022 (Monday) 14:15, B.1.01 Jan Syska (Prof. Uwe Manthe/Prof. Eisfeld) University of Bielefeld Development of a global potential model for the rubidium trimer (RB3)
02.11.2022 14:15, D.1.02 Eric Fischer (UP) Quantum Vibrational Dynamics in Complex Environments: From Vibrational Strong Coupling in Molecular Cavity QED to Phonon-Induced Adsorbate Relaxation
16.11.2022 14:15, D.1.02 Prof. Rigoberto Hernandez (Gompf Family Professor), John Hopkins University, Baltimore / Maryland (USA) Transition state theory for chemical reactions in complex environments
30.11.2022 13:45, D.1.02 Shreya Sinha (UP) Construction and de-construction of machine learned interatomic potentials
15.12.2022 (Thursday) 12:00, F.1.01 Prof. Alec Wodtke, MPI Göttingen Resonant Tunneling in Condensed Phase Isomerization Reactions
11.01.2023 14:15, D.1.02 Elham Mazarei (UP) Structural, electronic and vibrational properties of 2D-heterostructures using density functional theory
16.01.2023 (Monday) 14:15, 0.108 (Building 28, Institute of Physics and Astronomy) Dr. Lu Peng, MPI of Colloids and Interfaces, Potsdam 'The Easier the Better' Photocatalyst: Poly(heptazine imides)
18.01.2023 14:15, D.1.02 Dr. Christoph Scheurer, FHI Berlin Modelling realistic functional interfaces in energy materials
25.01.2023 14:15, D.1.02 Paul Albrecht (UP) Approximate potential energy surfaces for coupled nuclear-electron dynamics simulation of high-harmonics generation
30.01.2023 (Monday) 14:00, 0.108 (Building 28, Institute of Physics and Astronomy) Dr. Lucas Lang, University of Oslo (Hylleraas Centre for Quantum Molecular Sciences) A Quantum-Chemical Puzzle in the Theory of Paramagnetic NMR Spectra
01.02.2023 14:15, D.1.02 Dr. Christopher Ehlert, Heidelberg Institute for Theoretical Studies Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction
08.02.2023 14:15, D.1.02 Elisabeth Keller, PhD (group Dr. Johannes Margraf), FHI Berlin First-Principles Based Geometry Optimization with Small Numerical Basis Sets
15.02.2023 14:15, D.1.02 Christoph Witzorky (UP) Multi Exciton Dynamics: From Model Hamiltonian to TD-CI