About the School
ML4Chem is a three-day school on machine learning methods for chemistry and materials science, held 3–5 August 2026 at Leipzig University. It is aimed at PhD students, postdocs, and early-career researchers in computational chemistry, materials science, and related fields.
The scientific core is four sessions, one per half-day. Each session opens with a 15-minute contributed talk from a participant, continues with a lecture by the invited speaker, and closes with a two-hour tutorial run by the same speaker.
- 01(Foundational) Interatomic Machine Learning Potentials: MACE and BeyondEquivariant architectures, foundational models, and fine-tuning strategies for accurate and scalable molecular simulations.Ilyes BatatiaMon 09:00–13:00
- 02Beyond the Ground State: Machine Learning for PhotochemistryMachine learning approaches for excited states, photodynamics, and nonadiabatic processes.Prof. Dr. Julia WestermayrMon 14:00–18:00
- 03Machine Learning for Extended Systems: QM(ML)/MMHybrid quantum mechanics/molecular mechanics methods enhanced by machine learning for large-scale, condensed-phase, and biological systems.Prof. Dr. Chris Oostenbrink & Dr. Peter PoliakTue 09:00–13:00
- 04Machine Learning for Molecular Material Design: Generative ModelingGenerative AI for the inverse design of molecules and materials with targeted properties.Dr. Niklas GebauerTue 14:00–18:00
The school closes on Wednesday morning with a career round table: Holger Wetzler (CEO, Bell Flavors & Fragrances), Prof. Dr. Leonie Weissweiler (Leipzig University / ScaDS.AI), and Daniel Zügner (Microsoft Research) take questions on research careers inside and outside academia, followed by closing remarks.02
Speakers
Each session is taught by the person who leads it: the invited speaker gives the lecture, then runs the hands-on tutorial. Wednesday’s round-table guests come from three different directions: one runs a company, one holds a professorship, one does research in industry.
Lectures & Tutorials
IBSession 1: Interatomic ML Potentials
Ilyes Batatia
Csányi Group, Department of Engineering, University of Cambridge
Career Round Table
03
Program
On Monday and Tuesday the program repeats one rhythm twice a day: contributed talk, lecture, coffee, tutorial. Wednesday belongs to the career round table. All lectures and tutorials take place in the Experimental Lecture Hall (Experimentalhörsaal) of the Faculty of Chemistry; the poster session is held in the Freiarbeitsbereich.Day 1
Monday August 3
08:30Registration
08:50–09:00Welcome
Session 1: Interatomic ML Potentials
09:00–09:15Contributed talkHendrik Weiske
09:15–10:30LectureIlyes Batatia
10:30–11:00Coffee break
11:00–13:00Hands-on tutorialIlyes Batatia
13:00–14:00Lunch
Session 2: ML for Photochemistry
14:00–14:15Contributed talkDilara Farkhutdinova
14:15–15:30LectureProf. Dr. Julia Westermayr
15:30–16:00Coffee break
16:00–18:00Hands-on tutorialProf. Dr. Julia Westermayr
18:30–20:00Poster sessionFreiarbeitsbereich, with snacks and beveragesDay 2
Tuesday August 4
09:00–09:15Contributed talkRhyan Barrett
09:15–10:30LectureProf. Dr. Chris Oostenbrink & Dr. Peter Poliak
10:30–11:00Coffee break
11:00–13:00Hands-on tutorialProf. Dr. Chris Oostenbrink & Dr. Peter Poliak
13:00–14:00Lunch
Session 4: Generative Modeling
14:00–14:15Contributed talkPatricia Ramos
14:15–15:30LectureDr. Niklas Gebauer
15:30–16:00Coffee break
16:00–18:00Hands-on tutorialDr. Niklas Gebauer
18:00Conference BBQDestilleDay 3
Wednesday August 5
10:00–11:00Career round tableHolger Wetzler, Prof. Dr. Leonie Weissweiler, Daniel Zügner
11:00–11:30Coffee break
11:30–13:00Career round tablecontinued
Closing remarks
MaterialsThe book of abstracts and a directions guide to the lecture hall, the poster area, and the BBQ venue will be published here soon.04
Venue & Travel
Faculty of Chemistry, Leipzig University
Johannisallee 29, 04103 Leipzig, GermanyLectures & tutorialsExperimental Lecture Hall (Experimentalhörsaal)Poster sessionFreiarbeitsbereich, Monday 18:30–20:00Conference BBQDestille, Tuesday 18:00 (€30, paid at on-site registration)DirectionsA guide to all rooms and the BBQ venue will be published here soon.
Getting to Leipzig
- By air: Leipzig/Halle Airport (LEJ) connects to the major European hubs.
- By train: Deutsche Bahn ICE/IC services run directly to Leipzig Hauptbahnhof.
- Arrival: most participants arrive on Sunday, 2 August.
Accommodation recommendations will be shared soon.05
Registration
Registration is closed.
Travel grants
Grants for travel and accommodation, funded through COST Action DAEMON, are allocated by the organizing committee. Allocation is not guaranteed; applicants are notified directly.
Conference BBQ
The Tuesday BBQ at the Destille is an optional add-on: €30, paid at on-site registration.
Personal data
Personal data is processed in line with the GDPR. Details are shown at the top of the registration form.