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 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
27.02.2020 Xinli Song Photolysis dynamics of m- and o-fluorophenol: substitution effects on tunneling mechanism
12.03.2020 Josene Toldo Insights on the photochemistry of cinnamate-based molecules as potential candidates for boosting crop growth
19.03.2020 Alexandre Barrozo Posponed sine die
02.04.2020 Baptiste Demoulin Posponed sine die
16.04.2020 Saikat Mukherjee Posponed sine die
30.04.2020 Prateek Goel Posponed sine die
14.05.2020 Fábris Kossoski Posponed sine die
04.06.2020 Roger-Charles Tissier Posponed sine die
18.06.2020 TBA Posponed sine die
02.07.2020 TBA Posponed sine die

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.