Joint Seminar on Machine Learning for Quantum Chemistry
Date |
First meeting: 19.05.2021, 3 pm |
|
Presentation: t.b.a |
Room |
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 II", and "Cognitive Algorithms" |
This is a joint research-oriented seminar of Machine Learning (TU Berlin) and the AI4Science group (FU Berlin). 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