Machine Learning Techniques in Atomistic Simulations (IMPRS UFAST focus course)
IMPRS UFAST focus course
- Start: Sep 16, 2024 09:30 AM (Local Time Germany)
- End: Sep 19, 2024 12:30 PM
- Speaker: Mariana Rossi
- Location: Bahrenfeld Campus
- Room: MPSD new building 900.01.020
- Host: IMPRS UFAST

Abstract:
In this course, an introductory overview of machine-learning methods applied to atomistic simulations will be given. We will cover the basics of supervised and unsupervised algorithms for property prediction and classification, based on kernel methods and on neural networks. Focus will be given on methods geared towards speeding up theoretical quantum chemistry methods and dealing with larger amounts of data. The course will consist of lectures and hands-on sessions that showcase some of the algorithms. Knowledge of basic python programming is necessary.
16th – 19th Sept 2024
MPSD new building Seminar Room 900.01.020
09:30h - 12:30h