Program
09:00 – 09:45 Bernd Ensing, University of Amsterdam
”Path-metadynamics combined with machine learning to unravel complex reaction mechanisms“
09:45 – 10:15 Ulisse Stefanelli, University of Vienna
”The mathematical molecule (i.e., what mathematicians do, when nobody looks)“
10:15 – 10:45 Vladimir Kazeev, University of Vienna
”Low-rank tensor approximation: the numerical solution of PDEs and a little beyond“
10:45 – 11:15 Coffee break
11:15 – 11:45 Madlen Maria Reiner, University of Vienna
”Nonadiabatic forward flux sampling on the example of the rare NH3 → NH+H2 photodissociation“
11:45 – 12:15 Brigitta Bachmair, University of Vienna
”Nonadiabatic forward flux sampling for investigating the Norrish type I reaction of acetaldehyde“
12:15 – 12:45 Maximilian Xaver Tiefenbacher, University of Vienna
”Using machine learned potentials to simulate electronically excited furan with explicit solvent molecules“
13:00 – End