Upcoming Events

ViRAPID workshop 26-29. February 2024

07.12.2023 15:16 - 29.02.2024 15:16

We are proud to announce our workshop on “Bringing together rare event sampling, excited state dynamics and machine learning“. With a list of amazing speakers we are looking forward to 4 days of scientific discussions from the 26. to the 29. of February.

For more information please visit the workshop website.

Organiser:
ViRAPID
Location:
Carl Auer von Welsbach Hörsaal

Past Events

ViRAPID retreat March 27, 2023

17.03.2023 09:00 - 27.03.2023 13:00

ViRAPID Retreat

March 27th 2023, 09:00 – 13:00

ESI - Erwin Schrödinger International Institute for Mathematics and Physics,

Boltzmanngasse 9, 1090 Vienna

 

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

Organiser:
ViRAPID
Location:
ESI - Erwin Schrödinger International Institute for Mathematics and Physics