Program

09.00

Welcome Coffee

09.30

Opening and Welcome Message by Prof. Stefan Vučković

09.45

Prof. Sereina Riniker, ETH Zurich
«Learning physical interactions for molecular dynamics simulations»

10.25

Dr. Ruben Laplaza, EPFL Lausanne
«Navigating homogeneous catalyst landscapes»

11.05

Short Break

11.25

6 Contributed Talks à 5 min

11.55

Dr. Zoe Cournia, Biomedical Research Foundation Academy of Athens
«Predicting protein-ligand, protein-protein and protein-membrane interactions using molecular simulations and AI»

12.35

Lunch Break / Poster Session

14.00

Prof. Alexandre Thatchenko, University of Luxembourg
«Towards AI-enabled Fully Quantum (Bio)Molecular Simulations»

14.40

Dr. Elias Polak, University of Fribourg
«Real-space machine learning of correlation density functionals»

15.20

Short Break

15.40

Prof. Jeremy Richardson, ETH Zurich
«Machine-learning acceleration for semiclassical and nonadiabatic dynamics»

16.20

Prof. Markus Meuwly, University of Basel
«Constructing, Validating and Using Machine-Learned Potential Energy Surfaces»

17.10

Closing Word

17.15

Aperitif