Offer 47 out of 56 from 02/07/24, 13:59


Freie Universität Berlin - Fachbereich Mathematik und Informatik - SFB 1114: Skalenkaskaden in komplexen Systemen

CRC 1114 aims at methodological developments for the modelling and computational simulation of complex processes involving many (more than two) interacting scales, driven by real-life applications from the bio-, geo-, and material sciences. In its individual projects, mathematicians cooperate with colleagues from the natural sciences to advance both their modelling capabilities and their insight into concrete multiscale phenomena.

Research assistant (postdoc) (m/f/d)

full-time job

Working field:

This PostDoc position is part of the CRC1114 project A04 (Efficient calculation of slow and stationary scales in molecular dynamics) and is situated within the Al4Science group (Prof. Noé) at Freie Universität Berlin. The group develops new machine learning techniques for the molecular sciences. Aim of the project is the development of new theory and machine learning methods for the coarse-graining of quantum or classical many-body systems. These methods will be of importance for the development of drugs, materials as well as fundamental research in chemistry and biology.


  • BSc or MSc in Physics, Chemistry, Computer Science or related areas.
  • Completed PhD, ideally with focus on method development in quantum Chemistry or
    statistical Mechanics.


  • Experience in the development of machine learning systems and neural networks, especially Graph Neural Networks, Transformer, invariance and equivariance, statistical learning theory.
  • Experience in the modeling and simulation of molecular systems.
  • Extensive programming experience in Python, and with PyTorch or JAX. • Scientific publications.
  • Fluent in written and spoken English.

How to apply:

For further information, please contact Prof. Dr. Frank Noé ( / -).
Applications should be sent by e-mail, together with significant documents, indicating the reference code, no later than July 29th, 2024 in PDF format (preferably as one document) to Prof. Dr. Frank Noé: or postal to

Freie Universität Berlin
Fachbereich Mathematik und Informatik
SFB 1114: Skalenkaskaden in komplexen Systemen Mr. Prof. Dr. Frank Noé
Arnimallee 6
14195 Berlin (Dahlem)

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Freie Universität Berlin is an equal opportunity employer.