PhD student (m/f/d) wanted: Data-driven design of nanostructured systems

Braunschweig University of Technology
January 06, 2023
Offerd Salary:Negotiation
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Contract Type:Other
Working Time:Part time
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  • PhD student (m/f/d) wanted: Data-driven design of nanostructured


    The Computational Materials Design group at TU Braunschweig invites applications for a

    PhD student (m/f/d) position.

    The earliest starting date is April 1, 2023.

    The focus of the PhD project will be on the computational design of nanostructured systems with promising applications such as catalysis, biomedicine, thermoelectrics, batteries, and sensing. Magnetic metal-organic frameworks and single-molecule junctions in electronic components will constitute the core systems of the investigations.

    The PhD position is part of a DFG-funded collaboration with the group of Prof. Dr. Carmen Herrmann at the University of Hamburg, Germany. Our groups combine long-standing expertise on data-driven approaches in computational chemistry (Proppe group) and in theoretical molecular electronics and spintronics (Herrmann group).

    The main goal of the PhD project is to accelerate the discovery process for novel nanostructured systems. To this end, data-economic algorithms (active learning) inspired by physical principles will be developed to replace prohibitively expensive quantum chemical calculations with machine-learned predictions. The project will build on recent work with the Herrmann group on machine-learning magnetic properties (https: // and molecular conductance (https: // It will also include generating and interpreting raw data based on computational chemistry, providing opportunities to acquire a broad range of skills.

    Applicants should have a strong interest in theoretical chemistry and data science, a master's degree or equivalent in chemistry, physics, nanoscience, computational science, data science or a related subject, and a solid command of programming languages (in particular Python). Good basic knowledge of general and theoretical chemistry is preferable, as well as hands-on experience in machine learning. Solid English skills (both written and oral) are mandatory, knowledge of (or the willingness to learn) German is a plus.

    Braunschweig is a modern city with a rich past and only a stone's throw away from the headquarters of Volkswagen AG. Our group is located at the charming Oker river, which encloses the medieval town center. Regular meetings with the Herrmann group, both in Braunschweig and in Hamburg (DESY campus), will be a critical component of the PhD program.

    The position is initially limited to 36 months. Salary will be paid up to EG 13 TV-L depending on the assignment of duties and fulfillment of personal requirements. This is a part-time position with 67% (this corresponds to a regular DFG-funded work contract for PhD students). Participation in annual conferences is made possible.

    Please send your application documents via e-mail to Prof. Dr. Jonny Proppe (

    The application deadline is January 6, 2023.

    Severely disabled persons are preferred in case of equal aptitude. Proof of disability must be enclosed. Our universities strive to reduce under- representation in all areas and positions. Therefore, applications from women are particularly welcome. Furthermore, applications from all nations are welcome.

    Personal data is stored for the purpose of carrying out the application process. Application costs cannot be reimbursed.

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