Wortmarke der Ruhr-Universität Bochum

Center for Theoretical Chemistry

Theoretical Chemistry Colloquia (WS 2019/2020)

Wednesday 2:15pm in the seminar room NC 03/399.

Special date
Thu 10. 10. 2019
ZEMOS 0.17   
Sonia Coriani, Department of Chemistry, University of Denmark, Copenhagen, Denmark
Theoretical 'Beamlines' for Modern Spectroscopic Experiments
(Joint seminar with EXC 2033 “RESOLV”)
23. 10. 2019    Michael Walter, Freiburg Centre for Interactive Materials and Bioinspired Technologies, University of Freiburg
From bond rupture to weakly interacting systems - insights from density functional theory
30. 10. 2019    Oldamur Hollóczki, Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn
Nanoplastics from molecular dynamics simulations
(Speaker Exchange Program Bonn/Bochum)
06. 11. 2019    Mihkel Ugandi, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum
Exploration of excited state potential energy surfaces: computations and implementation
13. 11. 2019    Laura Durán Caballero, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum
Quantum solvation of Molecules in para-hydrogen
20. 11. 2019    Reinhold Fink, Institut für Physikalische und Theoretische Chemie, Universität Tübingen
Approaching chemical accuracy with second order perturbation theory by mixing RE and MP Hamiltonians and orbital optimization
27. 11. 2019    Benjamin Rotenberg, Laboratoire PHENIX, Sorbonne Université, Paris, France
Electrode/electrolyte interfaces: insights from classical molecular simulations and applications to energy storage, blue energy harvesting and water desalination
(Joint seminar with EXC 2033 “RESOLV”)
04. 12. 2019    Esma Birsen Boydas, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum
Mechanistic insights into the reduction of carbon dioxide by supramolecular mixed-valent complexes from quantum chemical calculations
18. 12. 2019    Klaus-Robert Müller, Institute of Software Engineering and Theoretical Computer Science, Machine Learning, Technische Universität Berlin
Machine Learning meets Quantum Chemistry
(Joint seminar with EXC 2033 “RESOLV”)
08. 01. 2020    Ivano Tavernelli, IBM Zurich Research Laboratory, Zürich, Schweiz
Quantum computing and its applications in chemistry and physics
(Joint seminar with EXC 2033 “RESOLV”)
15. 01. 2020    Toon Verstraelen, Center for Molecular Modeling, Techlane Ghent Science Park, Campus Ardoyen, Zwijnaarde, Belgien
Force Field Modeling of Short-Range Induction Interactions and Polarizable Atomic Monopoles
(Joint seminar with EXC 2033 “RESOLV”)
22. 01. 2020    Samuli Ollila, Institute of Biotechnology, University of Helsinki, Finnland
Combination of NMR Experiments and MD Simulations to Study Disordered Biomolecules
(Joint seminar with EXC 2033 “RESOLV”)
29. 01. 2020    Birgit Strodel, Forschungzentrum Jülich, Biophysics and Soft Matter, Jülich
Possibilities and current limitations of joining MD simulations and experiments
(Joint seminar with EXC 2033 “RESOLV”)
Special date
Wed 05. 02. 2020   
Sapna Sarupria, Chemical and Biomolecular Engineering, Clemson University, USA
Pushing the limits of simulations of complex systems -- from nucleation to biomolecules, from rare event sampling to multiscale modeling
(Joint seminar with EXC 2033 “RESOLV” and “Research Department Solvation Science”)

Guests are most welcome!

The current seminar program for printing as a PDF file.
Previous seminar programs: 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


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