The Proppe 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 (publication, free preprint) and molecular conductance (publication, free preprint). 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 certified knowledge of both computational chemistry and machine learning, a Master's degree or equivalent in chemistry or data science (other subjects require the applicant's justification), and a good command of programming languages (in particular Python). Solid English skills (both written and oral) are mandatory, knowledge of (or the willingness to learn) German is a plus.

Braunschweig (or Brunswick) is a modern city with a rich past and only a stone’s throw away from the headquarters of Volkswagen AG. There is a direct train connection to Berlin, which can be reached in less than 90 minutes. 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 E 13 TV-L depending on the assignment of duties and fulfillment of personal requirements. This is a part-time position on a 67% basis (this corresponds to a regular German work contract for PhD students in chemistry). Annual participation in conferences is made possible.

Please send your application documents (letter of motivation, CV incl. at least two contacts, academic certificates, transcript of records) via e-mail to Prof. Dr. Jonny Proppe (j.proppe[at]tu-braunschweig.de).

The application deadline is February 28, 2023. Generic applications – even if they meet the qualifications – will not be considered.*

*What is a generic application? It is characterized by the fact that it does not contain a statement of suitability and motivation tailored to the advertised position and the advertising institution.

Severely disabled persons are preferred in case of equal aptitude. Proof of disability must be enclosed upon application. TU Braunschweig is actively involved in reducing underrepresentation 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.