Update from October 25, 2025: This position is not available anymore!
Position description
We are a young research group located at the Institute of Chemistry of TU Berlin. Our focus is the development of new quantum chemistry methods in the ORCA program and their application to understanding the properties and electronic structure of open-shell species, in particular molecules containing transition-metal and lanthanide ions.
The exact topic can be adapted to the candidate’s interests. Possibilities range from implementing and benchmarking new quantum chemistry methods in ORCA to more applied computational studies of open-shell species and the use of qualitative models like ligand field theory (LFT) for interpretation. A particular focus of our group is nuclear magnetic resonance (NMR) spectroscopy of paramagnetic molecules. We also collaborate with experimental groups to help interpret and understand their findings. Please have a look at some recent publications to get a sense of our research:
- Theory of Field-Dependent NMR Shifts in Paramagnetic Molecules
- Treating Spin–Orbit Coupling and Spin–Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI
- Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory
Benefits
- The fellowship is awarded in connection with my Liebig fellowship from the Fonds der Chemischen Industrie and runs for 3 years (36 months). See pages 5–6 of the guidelines.
- The fellowship is tax-free and amounts to 1850 EUR per month. If you are a parent, this amount increases by 100 EUR per month and per child.
- You can expect excellent mentoring and regular meetings. My group is embedded in the larger quantum chemistry group led by Prof. Dr. Martin Kaupp. You will therefore have many colleagues to approach if you have problems, questions, or just want to have a chat during a coffee break.
- You will develop skills in programming and data analysis, scientific writing, presentation of results (oral and poster), time management, data management, and more.
- You will attend conferences to present your results and exchange ideas with other researchers. You will be able to attend summer schools to acquire new knowledge and skills, such as the European Summerschool in Quantum Chemistry, where I am a member of the tutor team.
- I will support your career development and preparation for your next career steps after your PhD, whether in academia or beyond.
Requirements
- Master’s degree in chemistry or a related field (e.g., physics, materials science, computational science).
- Good knowledge of quantum mechanics and/or quantum chemistry and/or computational chemistry.
- Genuine interest in open-shell molecules.
- Scripting/programming experience (e.g., Bash, Python, Julia, C/C++, Fortran). Familiarity with Linux and high-performance computing.
- Strong written and spoken English skills.
- You take responsibility, show initiative, and contribute your own ideas.
- You enjoy collaborating and working in a team.
- You are willing to participate in 2 hours of teaching per week (during the lecture period, which is around 3 months per 6-month semester).
Application
If you are interested and would like to join my group, please send me an email at with the following information:
- Cover letter briefly describing who you are and why you would like to join the group.
- Curriculum vitae (CV) in tabular format.
- Electronic copy of your Master’s thesis. If you have not yet completed it, include a one-page summary and an estimated graduation date.
- List of university courses taken (Bachelor’s and Master’s), with grades and an explanation of the grading system.
- Email addresses of two references (e.g., thesis supervisor, other professors) who know you well.
I especially encourage applications from individuals belonging to underrepresented groups. We will start screening applications in mid-October, and the position can begin at any time thereafter.