PhD Positions for developing Deep Generative Models for De Novo design of Molecules and Materials


The Institutes for Mathematical Modelling of Biological Systems (Prof. Dr. Markus Kollmann), Pharmaceutical and Medicinal Chemistry (Prof. Dr. Holger Gohlke), and Machine Learning (Prof. Dr. Stefan Harmeling), invite applications for positions on PhD level in the interdisciplinary field between computational sciences and life sciences. Our joint research effort focuses on designing biomolecules ‘in silico’ for biotechnological applications, such as molecules needed for generating biodegradable material. In particular, we look for persons that are interested to develop and combine modern machine learning approaches, such as Deep Generative models, Reinforcement Learning, and Monte Carlo Search Methods, to the problem of generating highly complex structures. For an introduction into the field please have a look at this basic review: 


We look for highly motivated candidates with strong mathematical and computational skills (e.g. with background either in physics, mathematics, engineering, or computational sciences) and with experience or strong interest in  


-  Deep learning

-  MCMC methods

-  Bayesian statistics

-  Tensorflow programming 


(Biological background is not required


The positions are located at the Institute for Mathematical Modelling of Biological Systems.

Applications including a short but informative CV together with a motivation letter should be sent to


For more information see undefined 








Verantwortlich für den Inhalt: E-Mail sendenProf. Dr. Markus Kollmann