Seminar on Theoretical Chemistry
Winter term 2023/24
- 12.10.2023
Dr. Dietmar Paschek
Inst. f. Chemie
Universität Rostock
Hydrogen Bond Population Correlation Functions & Periodic Boundary Conditions: Worth the Fuss?
- 23.11.2023
Dr. Jan Hamaekers
Fraunhofer Inst. for Algorithms and Scientific Computing
Schloss Birlinghoven, Sankt Augustin
Machine learning in materials design and discovery
- 07.12.2023
Dr. Nore Stolte
Theoretische Chemie Max Planck Institut für Kohlenforschung
Ruhr-Universität Bochum Mülheim a. d. Ruhr
Isotope Effects in Liquid Water at CCSD(T) Accuracy with Coupled Cluster Molecular Dynamics
- 14.12.2023
Tiago da Costa Gouveia Leyser
Max Planck Institut für Kohlenforschung
Mülheim a. d. Ruhr
General Spin ROCIS and its Applications to X-ray Spectroscopy - 25.01.2024
Prof. Dr. Trevor A. Hamlin
Vrije Universiteit Amsterdam
Amsterdam, Netherlands
Origin of Catalysis and Regioselectivity in Lewis Acid-Catalyzed Cycloaddition Reactions
The lectures take place at 5 p.m. c.t. in the lecture hall of the Clausius Institute of Physical and Theoretical Chemistry, Wegelerstr. 12, 53115 Bonn.