PhD Studentship in Geometric Deep Learning HITS gGmbH in Germany

[Fully funded PhD position; funding information lists £47,838.78 to £52,187.76 p.a., and the offer also states a competitive full-time salary of 55,000 to 60,000 EUR p.a. depending on qualifications and experience.]

The Heidelberg Institute for Theoretical Studies (HITS) is offering a fully funded PhD Studentship (m/f/x) in Geometric Deep Learning within its Machine Learning and Artificial Intelligence (MLI) group. HITS is a private, non-profit research institute in Heidelberg with a strong interdisciplinary profile across natural sciences, mathematics, and computer science, and this project sits within the SIMPLAIX consortium involving the University of Heidelberg and Karlsruhe Institute of Technology.

The research focus is geometric deep learning for materials science, especially generative models for crystalline materials. The project will investigate modern generative approaches such as diffusion models and flow matching, with an emphasis on incorporating differential geometry and group theory to better exploit the symmetry structure of crystal grids. Potential downstream applications include the design of novel materials for batteries and catalysts for direct carbon air capture.

The role involves cutting-edge research in generative modelling for materials science, publishing results at leading machine learning venues such as NeurIPS, ICML, and ICLR, and contributing to high-impact journal publications. The successful candidate will also collaborate with researchers across the MLI group and the broader SIMPLAIX consortium, and may supervise research interns as well as bachelor’s and master’s students.

Applicants should have a master’s degree in computer science, mathematics, theoretical physics, or a related discipline. A strong theoretical foundation in machine learning, solid linear algebra skills, and excellent programming ability are preferred. Prior knowledge of differential geometry, representation theory, and mathematical optimization is welcome but not mandatory. The institute also seeks candidates with high motivation, enthusiasm for international teamwork, and strong communication skills.

HITS offers a first-class research environment, excellent computing infrastructure, an English-speaking international workplace, and strong connections to academic and industrial research labs. Benefits include flexible working hours, vacation entitlement, remote-work options, and other staff benefits. The post is advertised as fully funded, with salary information given in the listing.

The application deadline is 12 August 2026, and applications are reviewed on a rolling basis. Interested candidates should apply through the online application button and use the official application link provided in the posting.