Our twice-weekly group seminars are open to anybody interested. It takes place every second Thursday at 10:00 am in the library of D42 service of the BJ5 building. See Access to see how to find us. These are the following seminars for this semester:

Date Speaker Title
14/09/2017 Gianmarco Bartalini Modeling of Thermal Noise Modulation in Cottoid Fish Rhodopsins
26/09/2017 Fabio Luiz Paranhos Costa Calculating Accurate 13C NMR Chemical Shifts of Flexible Organic Molecules
28/09/2017 Fábris Kossoski Description of transient anions by semiclassical dynamics simulations
11/10/2017 Lipeng Chen Theory meets spectroscopy: ensemble and single-molecule spectroscopic studies of ultrafast energy transfer processes in light harvesting systems
12/10/2017 Elisa Pieri A review on lipids and membrane proteins simulations
25/10/2017 Pavlo Dral Tutorial: Towards Reliable Machine Learning for Computational Chemistry andPerspectives for ML Excited-State Molecular Dynamics
09/11/2017 cancelled
24/11/2017 Karno Schwinn Modeling of charge carrier dynamics in functional donor-acceptor materials with kinetic Monte Carlo
07/12/2017 Grégoire David What are the physical contents of HDvV and Hubbard Hamiltonian Parameters in the BS-DFT approach?
Christmas Break. No seminars until 11/01/2018
25/01/2018 Ljiljana Stojanovic Mechanisms of reversed intersystem crossing in carbazol-benzonitriles
01/02/2018 Padmabati Mondal Solvent Dependence of the Rebinding Kinetics in Microperoxidase-NO: The Accelerating Effect of Salt in Water
15/02/2018 Fábris Kossoski Importance sampling applied to the nuclear ensemble approach
08/03/2018 Miquel Huix-Rotllant Internal conversion of porphyrins
29/03/2018 Mario Barbatti Newton-X 10 Years!
20/04/2018 Oliver Weingart Proton Shuttling in a Ketene intermediate
27/04/2018 Miquel Huix-Rotllant Organic radicals for quantum computing
15/05/2018 S. Bouaouli LOCALIZING THE REACTION PATH FOR EXCHANGE OF CH3 LIGAND BETWEEN ZN AND CU IN COPPER-CATALYZED ORGANIC SYNTHESIS: CHALLENGES AND ANSWERS
08/06/2018 Nuno Barbosa MOLECULAR DYNAMICS STUDY OF PHOTOSWITCH-MODIFIED ON DNA
27/06/2018 Nawee Kungwan EXCITED STATE PROTON TRANSFER (ESPT): THEORETICAL STUDY ON PRINCIPAL PHOTOPHYSICS OF NEW CHROMOPHORES, FLUORESCENT MOLECULAR PROBES AND LUMINESCENT MATERIALS
06/07/2018 Michael Dommett Aggregation Induced Emission in Molecular Crystals

If you would like to participate and give us a seminar, or for any other questions, please contact M. Huix-Rotllant.

If you want to check our past seminars, click here.