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

Welcome Talk

Sandra Schmid-Willers

INTRO/MOTIVATION OF WORKSHOP

Alexander Ruf

Ruf_Slides.pdf

Lunch Break

Chemical network generation without knowing the reactions

Praneet Nandan

Nandan_Slides.pdf

Automated Reaction Network Exploration

Moritz Bensberg

Bensberg_Slides.pdf

Overview astrochemistry

Cecilia Ceccarelli

Lunch Break

Observational data: Protostars

Marta De Simone

De Simone_Slides.pdf

Simulation data: Quantum chemistry and gas phase chemistry

Nadia Balucani

Social event and networking - Pizza

Overview Machine learning in chemistry

Frederic Felsen

Felsen_Slides.pdf

Lunch Break

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

Ingo Scholtes

Machine learning in astrochemistry

Gijs Vermariën

Vermariën_Slides.pdf

Overview Astrochemical modeling

Stefano Bovino

Bovino_Slides.pdf

Lunch Break

Astrochemical modeling molecular clouds

Alessandro Lupi

Lupi_Slides.pdf

Astrochemical modeling protoplanetary discs

Claudia Toci

Toci_Slides.pdf

Chemical networks & information

Ulrich Gerland

Lunch Break

Chemical networks & time

Jeremie Unterberger

Unterberger_Slides.pdf

Complexity of astrochemical networks

Tommaso Grassi

Grassi_Slides.pdf

Observational data vs synthetic spectra

Akash Gupta

Gupta_Slides.pdf

Lunch Break

Graph-based methods for few-body systems

Sebastian Dorn

Dorn_Slides.pdf

Overview simulation-based inference

Lukas Heinrich

Overview astrochemical networks

Catherine Walsh

Walsh_Slides.pdf

Lunch Break

Telescope data in astrochemistry

Eleonora Bianchi

Bianchi_Slides.pdf

Simulation data: Quantum chemistry and surface chemistry

Joan Enrique Romero

Enrique Romero_Slides.pdf

Machine learning in atmospheric science

Patrick Rinke

Rinke_Slides.pdf

Lunch Break

Chemical networks from laboratory experiments

Oliver Trapp

Trapp_Slides.pdf

Simulation data: Laboratory experiments

Pavol Jusko

Jusko_Slides.pdf

Social event and networking - Brotzeit

Uncertainty and sensitivity analysis

Marie Van de Sande

van de Sande_Slides.pdf

Lunch Break

Surrogate models for the resolution of ODEs and applications in astrochemistry

Lorenzo Branca

Branca_Slides.pdf

Recipe for astrochemistry simulations in star-forming environments: chemical networks, public codes, and forming molecules in the interstellar medium

Munan Gong

Gong_Slides.pdf

tba