Mathematical Questions of Molecular Quantum Dynamics

September 19th, 2019

Institut Henri Poincaré - Salle 201

The aim of this meeting is to focus on actual questions from theroretical chemistry that are related with molecular quantum dynamics and that call for a mathematical insight. The four talks of the day are given by chemists and directed to an audience including mathematicians.


9:15 Graham Worth (University College London)
Obtaining Potentials for Molecular Excited States Using On-The-Fly Simulation: The DD-vMCG Method

10:30 Federica Agostini (Université Paris-Sud)
Excited-state dynamics with trajectories

14:00 Jiří Vaníček (École Polytechnique Fédérale de Lausanne)
Single-Hessian thawed Gaussian approximation

15:30 Loic Joubert-Doriol (Université Paris-Est - Marne la Vallée)
Understanding and accounting for geometric phase effects in direct dynamics near conical intersections

Organisateurs. Irene Burghardt (Goethe Universität Frankfurt), Rémi Carles (CNRS), Clotilde Fermanian Kammerer (Université Paris-Est Créteil), Lysianne Hari (Université de Bourgogne Franche-Comté), Benjamin Lasorne (CNRS), Caroline Lasser (Technische Universität München), Gérard Parlant (Institut Charles Gherardt Montpellier), Yohann Scribano (Université de Montpellier)

Financement. Possibilité de financement de billets de train pour les personnes désirant participer à la journée, nous contacter (contact).
Appel à projets 80|Prime du CNRS - Appel à projets "Professeurs Invités" de l'I-Site FUTURE (Action 5 : Funds for Excellence).