Wortmarke der Ruhr-Universität Bochum

Center for Theoretical Chemistry

Theoretical Chemistry Colloquia (WS 2023/2024)

Wednesday 2:15pm in the seminar room NC 5/99.

11. 10. 2023    Sandipan Mohanty, Jülich Supercomputing Centre, Forschungszentrum Jülich
Quantum annealing: some applications in biophysics
(Joint seminar with EXC 2033 “RESOLV”)
18. 10. 2023
ZEMOS 0.17/0.19   
Pascal Friederich, Artificial Intelligence for Materials Science, Department of Informatics and Institute of Nanotechnology, Karlsruhe Institute of Technology
Machine Learning for Simulation, Understanding, and Design of Molecules and Materials
(Joint seminar with EXC 2033 “RESOLV”)
25. 10. 2023    Benedikt Bädorf, Theoretical Chemistry, Universität Bonn
Efficient Computation of Very Large, Non-covalently Bound Complexes
(Speaker Exchange Program Bonn/Bochum)
08. 11. 2023    Frank Ortmann, Theoretical Methods in Spectroscopy, TUM School of Natural Sciences, Technische Universität München
Excitations in Energy Materials: Insights from Theory
(Joint seminar with EXC 2033 “RESOLV”)
15. 11. 2023    Christoph Jacob, Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig
Quantum-Chemical Calculation of Two-Dimensional Infrared Spectra
(Joint seminar with EXC 2033 “RESOLV”)
06. 12. 2023    Matthias Rupp, Luxembourg Institute of Science and Technology (LIST)
Selection, validation, and application of machine-learning potentials at the examples of thermal transport and a phase transition in dense hydrogen
(Joint seminar with EXC 2033 “RESOLV”)
13. 12. 2023    Sascha Jähnigen, Université PSL, Sorbonne Université and CNRS
Periodic calculations of vibrational circular dichroism: How is it supposed to work?
(Joint seminar with EXC 2033 “RESOLV”)

Guests are most welcome!

The current seminar program for printing as a PDF file.
Previous seminar programs: SS23, WS22/23, SS22, WS21/22, SS21, WS20/21, SS20, WS19/20, SS19, WS18/19, SS18, WS17/18, SS17, WS16/17, SS16, WS15/16, SS15, WS14/15, SS14, WS13/14, SS13, WS12/13, SS12, WS11/12, SS11, WS10/11, SS10, WS09/10, SS09, WS08/09, SS08, WS07/08, SS07, WS06/07, SS06, WS05/06, SS05, WS04/05, SS04, WS03/04, SS03, WS02/03, SS02, WS01/02, SS01, WS00/01,
Festkolloquium SS06, Festkolloquium WS13/14
STC 2016 Programm, STC 2016 Homepage

Related Seminars:

HLN Colloquium

Chemistry Colloquium (GDCh)

Physics Colloquium