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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:

Summer 2023

Date Time, Room Speaker, Affiliation Title
10.05.2023 14:15, D.1.02 Felizitas Gottwald (UP) Master theses: Covalent organic frameworks (COFs): Investigation of optoelectronic properties and electrochemical water splitting
10.05.2023 14:15, D.1.02 Jonathan Eifler (UP) Master theses: Quantum chemical studies of the nitrogen reduction reaction (NRR) and hydrogen evolution reaction (HER) on porous CN-containing compounds
17.05.2023 14:15, D.1.02 Bonasree Roy (UP) On the Spectroscopy and Dynamics of Adamantane and its Derivatives
12.06.2023 16:15, D.1.02 Dr. Shadan Ghassemi Tabrizi (UP) Ground States of Heisenberg Spin Clusters from a Cluster-Based Projected Hartree-Fock Approach
19.06.2023 (Monday) 16:15, F.1.01 Prof. Dr. Oriol Vendrell, Universität Heidelberg GDCh-Kolloquium: Polaritonic Chemistry: Manipulating Molecular Processes with Confined Light
21.06.2023 14:15, D.1.02 Prof. Dr. Martin Brehm, Paderborn University Computing Bulk Phase Vibrational Spectra from Ab Initio Molecular Dynamics Simulations
23.06.2023 (Friday) 14:15, F.0.01 Dr. Foudhil Bouakline (UP) Habilitation Kolloquium: Manifestations of Quantum-Mechanical Effects in Molecular Reaction Dynamics
03.07.2023 (Monday) 16:15, D.1.02 Prof. Ramanathan Padmanaban, Pondicherry University, India Effective strategy for the conversation of CO2 to value-added products using single-atom-catalyst: DFT study
19.07.2023 13:45, D.1.02 Bruno Mladineo, Ruder Boskovic Institute Zagreb/Croatia Extending length and time scales of first principles material modelling via machine learning