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:
- 17.10.: Organisational meeting (THIS FIRST MEETING WILL BE ONLINE)
- 24.10.: Computer science I
- 31.10.: Computer science II
- 07.11.: Featurisation of molecular systems
- 17.11.: Dimensionality reduction and reaction coordinates I
- 21.11.: Dimensionality reduction and reaction coordinates II
- 28.11.: ML potentials I
- 05.12.: ML potentials II
- 12.12.: ML potentials III
- 19.12.: ML for coarse-grained potentials
- 09.01.: ML for classification and structure analysis
- 16.01.: ML for property prediction
- 23.01.: ML and statistical mechanics I
- 30.01.: ML and statistical mechanics II
- 06.02.: ML and enhanced sampling
- 13.02.: Future perspectives