This is an exciting opportunity for a PhD candidate to join the Scientific Computing Center (SCC) at the Karlsruhe Institute of Technology (KIT). The project, part of the Collaborative Research Center (SFB) HyPERiON, focuses on leveraging artificial intelligence to overcome signal overlap challenges in parallel NMR spectroscopy for drug discovery.
PhD Position: Untangling Multi-Property NMR Signals in Drug Screening, Germany
Project Overview
The research aims to develop advanced AI models, specifically transformer-based neural networks, to generate individual, decoupled spectra from complex, coupled NMR data. This role sits at the intersection of machine learning, high-performance computing, and natural sciences.
Job Details at a Glance
| Feature | Details |
| Designation | PhD Researcher |
| Workload | 75% Part-time |
| Salary | 43,200.00 – 46,400.00 EUR gross/year (TV-L 13) |
| Location | Eggenstein-Leopoldshafen & Karlsruhe, Germany |
| Last Date to Apply | July 23, 2026 |
Research Area
- Core Focus: AI-driven signal processing for Nuclear Magnetic Resonance (NMR) spectroscopy.
- Methodology: Scalable deep learning, transformer-based architectures, self-supervised pre-training, and transfer learning.
- Infrastructure: GPU-based and high-performance computing (HPC).
Eligibility & Qualifications
- Education: M.Sc. in Computer Science, Physics, Mathematics, or a related discipline.
- Technical Skills: Strong programming and software development skills (Python is highly preferred).
- Experience: Prior experience in either deep learning model development or NMR methods.
Job Description
- Develop transformer-based neural networks to process NMR spectra.
- Create datasets from existing experiments and conduct new experiments during a research stay at KIT’s Institute of Microstructure Technology (IMT).
- Apply self-supervised pre-training (masked sequence modeling) and task-specific fine-tuning.
- Analyze the ability of the developed models to learn the underlying physical principles of NMR.
- Participate actively in the Collaborative Research Center (SFB) HyPERiON activities and engage with fellow researchers.
How to Apply
To apply for this position, please submit your application through the official portal via the “Apply now!” button.
Contact Information:
- Line-management questions: Frau Dr. Charlotte Debus (charlotte.debus@kit.edu)
- Application process questions: Dominik Meschar, Personalservice (PSE) (dominik.meschar@kit.edu / +49 721 608-25029)
KIT encourages applications from all qualified individuals. Women and individuals with disabilities are especially encouraged to apply.
