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Helmholtz-Zentrum Hereon invites applications for a three-year PhD position in agentic AI within computational modeling. The role focuses on developing autonomous simulation systems and AI-driven workflows for materials science and engineering.
Applicants should hold a master's in computational engineering, applied mathematics, or computer science, with strong Python and C++ skills. The position is part-time (19.5 h/week) and located in Geesthacht, Germany.
The Helmholtz-Zentrum Hereon conducts cutting-edge international research for a changing world: Around 1,000 employees contribute to the tackling of climate change, the sustainable use of the world's coastal systems and the resource-compatible enhancement of the quality of life. From fundamental research to practical applications, the interdisciplinary research spectrum covers a unique range.
The Institute of Material Systems Modeling works on methods for virtual material and process development. Computational methods and artificial intelligence are used to optimize materials and their application from the atomic level to the system level.
JobID: 1061 - 2026/MS 7
Location: Geesthacht
Application deadline: 23 September, 2026
Developing computational models and running computer simulations in science and engineering still requires substantial expert knowledge. Agentic artificial intelligence (AI) offers a great opportunity to automate these demanding tasks to a large extent. We are offering a 3-year position, as soon as possible, as a doctoral student in the area of agentic AI in computational modeling.
Equal opportunity is an important part of our personnel policy. We would therefore strongly encourage qualified women to apply for the position. The position is part-time (planned with 19.5 h/week).
Together with our team, you will push the frontier of agentic AI systems in computational modeling. That is, you will develop systems that leverage agentic AI to automate the development and execution of computer simulations. The objective is creating largely autonomous systems for computational modeling. The main application areas are the various areas of computational science and engineering with a strong focus on computational material science (both at the macroscale and atomic scale), biomedical engineering/biomechanics, and process engineering. However, also applications in environmental modeling (in particular coastal research and climate research) are potentially of interest.
You should have a master's degree in computational engineering, applied mathematics, computer science, or any other field closely related to computational modeling in science and engineering. You have a strong background in the theoretical foundations of engineering, science and applied mathematics. It is an advantage (though not mandatory) if you have prior knowledge in ontologies, knowledge graphs, and/or robotics.
You have demonstrated your excellent skills by outstanding grades during your bachelor's and master's program, in particular in those courses related to this call. You have very good programming skills in Python and ideally also C++. Proven experience in code development is crucial and will be checked during the job interview. Moreover, you have strong skills in communicating science in English.
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