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
20/09/2018 José Rachid Mohallem Probing molecular environments with a fictitious isotopic dipole
04/10/2018 Miquel Huix-Rotllant Isoalloxazine: electron affinity and effect of the redox state on the UV-vis spectra
18/10/2018 Stéphane Coussan Study of intra and intermolecularly H-bonded molecules and aggregates trapped in cryogenic matrices. From monomers to H-bonded networks. Contribution of theory to experimental results
25/10/2018 Elisa Pieri Investigating the pH-Dependency of the Anabaena Sensory Rhodopsin Photoactivity Using a Multiscale CpHMD-then-QM/MM Approach
08/11/2018 Thibaud Etienne Equivocal representation of an electronic transition from the linear response of the density matrix and the equation of motion formulations of TDDFT
29/11/2018 Karno Schwinn Analytic second derivatives of the QM/MM interaction energy with the ESPF method for DFT/TDDFT ground and excited states
13/12/2018 Padmabati Mondal The fate of molecular oxygen in flavoprotein : Insights on the radical pair mechanism of magnetoreception
20/12/2018 Nicolas Ferré Bilan de fin d'année
Christmas Break. No seminars until 24/01/2019
24/01/2019 Carlos Eduardo V. de Moura Electronic Structure of the Carbon K-Edge States in Polyacenes Molecules
07/02/2019 Samira Bouaouli Theoretical investigation of thermo-oxidation mechanisms of epoxy resins
28/02/2019 Fábris Kossoski Semiclassical approach for describing the dynamics of resonant anions
14/03/2019 Nuno Barbosa Effects of pH on Oxyluciferyn analogues and AMP systems in water
28/03/2019 Marc Alías High-spin to low-spin relaxation in mono- and bidentate Fe(II) spin crossover complexes
11/04/2019 Felix Plasser New Tools for Computational Photochemistry: Wavefunction Analysis and Dynamics
25/04/2019 Cancelled
16/05/2019 Daniel Escudero Phosphorescence lifetimes and efficiencies from first principles
06/06/2019 Maguy Jaber Oil and tempera paints? A chemist point of view
20/06/2019 Roger Charles Tissier On the difficulty to compare experimental and theoretical NMR spectra
11/07/2019 Karno Schwinn Q-Vector Method for Analytic ESPF-QM/MM Hessians and Charge Derivatives

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.