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
12/09/2018 Seunghoon Lee Non-Adiabatic Molecular Dynamics Simulation of cis-stilbene using Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT)
19/09/2018 Witchaya Phasayavan Photocatalytic Activity Improvement of Bi2MoO6 via Solvothermal Synthesis for Selective Functionalization of Benzylamine and Its Derivatives
26/09/2018 Alexandre Barrozo Distinct Electron Conductance Regimes in Bacterial Decaheme Cytochromes
03/10/2019 Warinthon Chansen Substitution Effect on Photophysical Properties and Excited-State Intramolecular Proton Transfer of 2’-Hydroxychalcone Derivatives; Theoretical study
10/10/2019 Samira Bouaouli Theoretical investigation of thermo-oxidation mechanisms of epoxy resins
17/10/2019 Marcio Varella Positronic molecules
24/10/2019 Artur Izmaylov Quantum Chemistry on a Quantum Computer: Recent Developments and Current Challenges
28/10/2019 -29/10/2019 Conference Light and Molecules
07/11/2019 Ritam Mansour Mechanism of the chemiluminiscent reaction of nitric oxide and ozone
14/11/2019 Cancelled
21/11/2019 Mariana Casal Pyrene exciplex formation: method effect on excited states descriptors
28/11/2019 Cancelled
05/12/2019 Cancelled
11/12/2019 Michael Filatov Application of ensemble density functional theory method to study non-adiabatic dynamics of excited states
16/12/2019 Nicolas Ferré Bilan fin d'année
18/12/2019 Swarnendu Bhattacharyya Studying Ultrafast Dynamics Through Non-adiabatic Dynamics Simulations
Christmas Break
23/01/2020 Nuno Barbosa pH-Dependency of oxyluciferin analogues in the active site of luciferase using a CpHMD-then-QM/MM approach
06/02/2020 Jean-Philip Piquemal Scalable polarizable molecular dynamics using Tinker-HP
20/02/2020 Xinli Song Posponed to 27/02/2020
05/03/2020 Baptiste Demoulin TBA
12/03/2020 Josene Toldo TBA
19/03/2020 Alexandre Barrozo TBA
02/04/2020 Karno Schwinn TBA
16/04/2020 Saikat Mukherjee TBA
30/04/2020 Prateek Goel TBA
14/05/2020 Fábris Kossoski TBA
04/06/2020 Roger-Charles Tissier TBA
18/06/2020 TBA TBA
02/07/2020 TBA TBA

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.