Machine Learning for Molecular Physics WiSe 23/24

Lectures: Tuesdays 14:00-16:00 - Room 1.4.03 (Arnimallee 14)

Tutorials: Tuesdays 12:00-14:00 - Room 008/007 (Arnimallee 6)

First day of lectures: October 17, 2023

Last day of lectures: February 13, 2024

First tutorial: October 18, 2023

Winter break: December 23, 2023 - January 6, 2024

CHAT ROOM: 

https://meet.physik.fu-berlin.de/#/room/#mlphysics23:physik.fu-berlin.de

You need an account in Physics to be able to join the chat. Please ask ZEDV (zedv@physik.fu-berlin.de) to give you an account in Physics if you do not have one already.

Requirements:

• Basic stat mech
• Knowledge of computational methods for molecular simulations; MD, MC
• Basic knowledge in solid state physics
• Basic programming in python or related

Lecture content:

1. 17.10.: Organisational meeting (THIS FIRST MEETING WILL BE ONLINE)
2. 24.10.: Computer science I
3. 31.10.: Computer science II
4. 07.11.: Featurisation of molecular systems
5. 17.11.: Dimensionality reduction and reaction coordinates I
6. 21.11.: Dimensionality reduction and reaction coordinates II
7. 28.11.: ML potentials I
8. 05.12.: ML potentials II
9. 12.12.: ML potentials III
10. 19.12.: ML for coarse-grained potentials
11. 09.01.: ML for classification and structure analysis
12. 16.01.: ML for property prediction
13. 23.01.: ML and statistical mechanics I
14. 30.01.: ML and statistical mechanics II
15. 06.02.: ML and enhanced sampling
16. 13.02.: Future perspectives