Seminar on Machine Learning for Quantum Chemistry


Kickoff meeting: Tuesday, November 15th 2022, 12:15-12:45

Presentation: January 25th (time TBA, depending on the amount of participants)


Hybrid: MAR 4.033 or Zoom (



Stefaan Hessmann, Niklas Gebauer



3 ECTS, Elective in the modules "Machine Learning I", "Machine Learning II", and "Cognitive Algorithms"

This is a research-oriented seminar about applications of machine learning to quantum chemistry. There is no formal registration for the kick-off meeting. In the general case, it is not possible to take the seminar as a standalone course.

Students will read, understand, evaluate and present selected research papers on machine learning methods in quantum chemistry. At the end of the semester, each student will present their topic in a 20 min talk (+ 10 min questions) in English.

For a list of available research papers, please refer to the ISIS course linked above.

The available topics cover

IDA Wiki: Main/WS22_MLQc (last edited 2022-11-01 16:01:02 by NiklasGebauer)