Seminar on Machine Learning for Quantum Chemistry
Date |
Kickoff meeting: 2 November 2021, 10 am |
|
Presentation: TBD |
Room |
Kickoff will be online, Zoom link will be posted on ISIS |
ISIS |
|
Trainers |
Kristof Schütt, Michael Gastegger |
Contact |
kristof.schuett@tu-berlin.de, michael.gastegger@tu-berlin.de |
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