PhD Position in Bivariate Molecular Machine Learning (DFG Priority Programme)
The University of Wuppertal in Germany is offering a fully funded PhD position (Research Assistant) in the group of Prof. Dr. Peter Zaspel, starting March 1, 2026. This opportunity is part of the DFG Priority Programme “Molecular Machine Learning” and is embedded in the research project “Multi-fidelity, active learning strategies for exciton transfer in cryptophyte antenna complexes.” The project focuses on interdisciplinary research at the interface of computer science and mathematics, with a particular emphasis on developing bivariate molecular machine learning methods for modeling molecular interactions and properties.
The successful candidate will contribute to the development of novel machine learning approaches, especially regression models for bi-molecular properties, and will work within the thematic context of multi-fidelity and active learning strategies for molecular systems. The research is highly collaborative, involving an international team and addressing questions in machine learning, uncertainty quantification, and high-performance computing, with applications spanning the natural and engineering sciences.
In addition to research, the position includes teaching responsibilities (4 contact hours per week) and supervision of student research and thesis projects. The employment is governed by the German Academic Fixed-Term Contract Act (WissZeitVG) and supports doctoral qualification. The contract is full-time (part-time possible), initially limited to three years, with the possibility of extension to complete the doctorate. The salary is paid according to TV-L E13, providing competitive funding for the duration of the PhD.
Applicants must hold a completed Master’s degree (or equivalent) in computer science, mathematics, physics, or data science. Strong analytical skills in machine learning and/or numerical mathematics are essential, as is proficiency in programming languages such as Python or C/C++. Experience with multipole methods, low-rank approximations, or tensor methods is desirable. A good command of English is required, as it is the working language of the team. The selection process includes a scientific programming task relevant to the advertised position, details of which can be found at
this link
.
To apply, candidates must submit a motivation letter, CV, proof of graduation, relevant certificates or references, and (if available) a Bachelor’s or Master’s thesis, along with the completed scientific programming task. Applications are accepted via the University of Wuppertal’s online portal (
application portal
) under reference number 25353. The application deadline is January 19, 2026. For further information, contact Prof. Dr. Peter Zaspel at
[email protected]
or visit
his academic page
.
This position is ideal for candidates interested in interdisciplinary research, machine learning, and molecular modeling, and who are motivated to contribute to cutting-edge scientific advancements in a collaborative international environment.