Modeling Complex (Astro)Chemical Systems - Astrochemistry meets Data Science

Welcome Talk

Sandra Schmid-Willers

INTRO/MOTIVATION OF WORKSHOP

Alexander Ruf

Lunch Break

Chemical network generation without knowing the reactions

Praneet Nandan

Automated Reaction Network Exploration

Moritz Bensberg

Overview astrochemistry

Cecilia Ceccarelli

Lunch Break

Observational data: Protostars

Marta De Simone

Simulation data: Quantum chemistry and gas phase chemistry

Nadia Balucani

Social event and networking - Pizza

Overview Machine learning in chemistry

Frederic Felsen

Lunch Break

Graph-based data Science, network science, (causal) graph learning and GNNs

Ingo Scholtes

Graph-based data Science, network science, (causal) graph learning and GNN

Gijs Vermariën

Overview Astrochemical modeling

Stefano Bovino

Lunch Break

Astrochemical modeling molecular clouds

Alessandro Lupi

Astrochemical modeling protoplanetary discs

Claudia Toci

Chemical networks & information

Ulrich Gerland

Lunch Break

Chemical networks & time

Jeremie Unterberger

Complexity of astrochemical networks

Tommaso Grassi

Observational data vs synthetic spectra

Akash Gupta

Lunch Break

Overview simulation-based inference

Lukas Heinrich

Graph-based methods for few-body systems

Sebastian Dorn

Overview astrochemical networks

Catherine Walsh

Lunch Break

Telescope data in astrochemistry

Eleonora Bianchi

Simulation data: Quantum chemistry and surface chemistry

Joan Enrique Romero

Machine learning in atmospheric science

Patrick Rinke

Lunch Break

Chemical networks from laboratory experiments

Oliver Trapp

Simulation data: Laboratory experiments

Pavol Jusko

Social event and networking - Pizza or Brotzeit

Uncertainty and sensitivity analysis

Marie Van de Sande

Lunch Break

Surrogate models for the resolution of ODEs and applications in astrochemistry

Lorenzo Branca

tba

tba