Name: Modeling Complex(Astro)Chemical Systems - Astrochemistry meets Data Science
Start: 2025-02-24T09:00:00+01:00
End: 2025-03-07T18:00:00+01:00
Location: MIAPbP Seminar Room

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

from Monday, 24 February 2025 (09:00) to Friday, 7 March 2025 (18:00)

Monday, 24 February 2025
10:00 ASTROCHEMICAL NETWORK MODELING
10:00 - 17:00
Contributions

10:00 Welcome Talk - Sandra Schmid-Willers

10:30 INTRO/MOTIVATION OF WORKSHOP - Alexander Ruf

13:00 Chemical network generation without knowing the reactions - Praneet Nandan

15:30 Automated Reaction Network Exploration - Moritz Bensberg
Tuesday, 25 February 2025
10:00 ASTROCHEMSITRY / OBSERVATIONAL AND SIMULATION DATA
10:00 - 19:00
Contributions

10:00 Overview astrochemistry - Cecilia Ceccarelli

13:00 Observational data: Protostars - Marta De Simone

15:30 Simulation data: Quantum chemistry and gas phase chemistry - Nadia Balucani

17:00 Social event and networking - Pizza
Wednesday, 26 February 2025
10:00 MACHINE LEARNING IN (ASTRO)CHEMISTRY: Overview Machine learning in chemistry
Overview Machine learning in chemistry
10:00 - 18:00
Contributions

10:00 Overview Machine learning in chemistry - Frederic Felsen

13:00 Graph-based data Science, network science, (causal) graph learning and GNNs - Ingo Scholtes

15:30 Machine learning in astrochemistry - Gijs Vermariën
Thursday, 27 February 2025
10:00 ASTROCHEMICAL NETWORK MODELING: ASTROCHEMICAL MODELING
ASTROCHEMICAL MODELING
10:00 - 17:00
Contributions

10:00 Overview Astrochemical modeling - Stefano Bovino

13:00 Astrochemical modeling molecular clouds - Alessandro Lupi

15:30 Astrochemical modeling protoplanetary discs - Claudia Toci
Friday, 28 February 2025
10:00 (ASTRO)CHEMICAL NETWORK PROPERTIES: (ASTRO)CHEMICAL NETWORK PROPERTIES
(ASTRO)CHEMICAL NETWORK PROPERTIES
10:00 - 20:00
Contributions

10:00 Chemical networks & information - Ulrich Gerland

13:00 Chemical networks & time - Jeremie Unterberger

15:30 Complexity of astrochemical networks - Tommaso Grassi
Saturday, 1 March 2025
Sunday, 2 March 2025

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