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| || Date || Kickoff meeting: 2 November 2021, 10 am || | || Date || Kickoff meeting: TBA || |
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| || ISIS || https://isis.tu-berlin.de/course/view.php?id=27431 || || Trainers || Kristof Schütt, Michael Gastegger || || Contact || kristof.schuett@tu-berlin.de, michael.gastegger@tu-berlin.de || |
|| ISIS || https://isis.tu-berlin.de/course/view.php?id=27431 (old)|| || Trainers || Stefaan Hessmann, Niklas Gebauer || || Contact || stefaan.hessmann@tu-berlin.de, n.gebauer@tu-berlin.de || |
Seminar on Machine Learning for Quantum Chemistry
Date |
Kickoff meeting: TBA |
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Presentation: TBD |
Room |
Kickoff will be online, Zoom link will be posted on ISIS |
ISIS |
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Trainers |
Stefaan Hessmann, Niklas Gebauer |
Contact |
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Credits |
3 ECTS, Elective in the modules "Machine Learning I", "Machine Learning II", and "Cognitive Algorithms" |
This is a research-oriented seminar of about applications of machine learning to quantum chemistry. Students are required to present a selected topic.
The available topics cover
- Representations of molecules and materials
- Encoding prior knowledge and symmetries in ML models
- Solving the Schrödinger equation with ML
- ML for molecular dynamics
- Generative models for many-particle systems