PhD Position - AI-Enhanced Knowledge Graphs for Sustainable Hydrogen Technologies

Organisation/Company: Forschungszentrum Jülich

Research Field: All

Researcher Profile: First Stage Researcher (R1)

Country: Germany

Application Deadline: 19 Jan 2038 - 03:14 (UTC)

Type of Contract: To be defined

Job Status: Other

Is the job funded through the EU Research Framework Programme? Not funded by a EU programme

Is the Job related to staff position within a Research Infrastructure? No

Offer Description

Area of research: Promotion

Your Job:

We invite applications for a PhD candidate to contribute to AIMWORKS, a Helmholtz-funded research initiative devoted to developing AI-enhanced knowledge graphs for materials science in hydrogen technologies. The AIMWORKS project leverages advanced AI agents—including large language models (LLMs) and Retrieval Augmented Generation (RAG)—to automate data ingestion and semantic enrichment across complex, multimodal datasets. By integrating established ontologies such as EMMO with graph databases (Neo4j), this project aims to elevate data interoperability and foster collaborative, FAIR data practices throughout the Helmholtz Association.

Your specific tasks in the different areas:

Knowledge Graph & Ontology Integration

• Develop methods for mapping heterogeneous data (text, images, tabular results) into an ontology-based knowledge graph using EMMO and Neo4j.
• Employ LLM-based approaches to extract and structure metadata, ensuring seamless semantic interoperability for hydrogen technology research.

AI Workflow Automation

• Contribute to the design and implementation of agentic workflows for data collection, preprocessing, and iterative refinement of knowledge graphs.
• Work with modern AI frameworks (e.g., LangChain, PyTorch, TensorFlow) to automate information extraction and annotation across large scientific datasets.

Data FAIR-ification & Quality Control

• Define protocols for metadata standards in alignment with FAIR principles (Findable, Accessible, Interoperable, Reusable).
• Establish automated pipelines for data ingestion, validation, and semantic annotation, collaborating with HPC services for large-scale analytics.

Application to Hydrogen Technologies

• Apply developed AI/ML models to optimize materials design, characterizing essential properties and performance metrics across the hydrogen value chain.
• Deploy advanced LLMs for Retrieval Augmented Generation, feeding relevant scientific content into knowledge graph construction and refinement.
• Work closely with project partners at FZJülich (IET-3), KIT, and beyond.
• Present results at international conferences, co-author high-impact publications, and actively participate in the AIMWORKS consortium’s collaborative ecosystem.

Your Profile:

Academic Qualifications

• Master’s degree in Physics, Chemistry, Materials Science, Computer Science, or related fields.

Technical Skills

• Proficiency in Python.
• Familiarity with semantic technologies and graph databases.
• Basic understanding of large language models (LLMs) and AI-based data extraction methods.

Research Mindset

• Proven problem-solving and analytical skills, with a passion for interdisciplinary collaboration.
• Interest in bridging fundamental research and digital integration for sustainable hydrogen solutions.

Communication & Teamwork

• Excellent English language skills (spoken and written).
• Strong interpersonal competencies for effective collaboration in a dynamic, international team.

Our Offer:

High-Impact Environment

• Conduct frontier research at the intersection of AI, materials science, and sustainable hydrogen technologies.

Professional Development

• Access to exclusive training programs (e.g., HITEC Graduate School), plus networking opportunities across Helmholtz centers and industrial partners.
• Further development of your personal strengths through an extensive range of training courses; a structured program of continuing education and networking opportunities specifically for doctoral researchers via JuDocS, the Jülich Center for Doctoral Researchers and Supervisors:

Cutting-Edge Infrastructure

• State-of-the-art HPC resources, advanced AI toolkits, and fully equipped labs for physical and computational experimentation.

International Collaboration

• Engage with leading experts in digital materials science, knowledge graph development, and hydrogen technologies.

Support & Compensation

• The position is for a fixed term of 3 years, with possible extension.
• 30 days of annual leave and provision for days off between public holidays and weekends (e.g. between Christmas and New Year).
• Targeted services for international employees, e.g. through our International Advisory Service.
• Pay in line with 75% of pay group 13 of the Collective Agreement for the Public Service (TVöD-Bund) and additionally 60% of a monthly salary as special payment (“Christmas bonus”). The monthly salaries in euros can be found on page 66 of the PDF download: go.fzj.de/bmi.tvoed. Further information on doctoral degrees at Forschungszentrum Jülich including our other locations is available at:

In addition to exciting tasks and a collaborative working atmosphere at Jülich, we have a lot more to offer: go.fzj.de/benefits.

We welcome applications from people with diverse backgrounds, e.g. in terms of age, gender, disability, sexual orientation/identity, and social, ethnic and religious origin. A diverse and inclusive working environment with equal opportunities in which everyone can realize their potential is important to us.

This research center is part of the Helmholtz Association of German Research Centers. With more than 42,000 employees and an annual budget of over €5 billion, the Helmholtz Association is Germany's largest scientific organisation.

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