T378-2025 – RESEARCH ASSISTANT / PHD STUDENT (ALL GENDERS) – QUANTUM CHEMISTRY
About us
TU Darmstadt stands for excellent and relevant science. We are playing a decisive role in shaping far-reaching processes of global change—from energy transition to artificial intelligence—through outstanding scientific knowledge and innovative academic programmes. We group our cutting-edge research into three fields: Energy and Environment, Information and Intelligence, Matter and Materials. We are a university with strong ties to the Frankfurt Rhine-Main metropolitan region and a very strong international focus. We are committed to European values and European integration.
About our department
We aim to understand the electronic structures and functional principles of molecules and complexes with quantum chemical methods. Our research approach is to closely link experiment and theory by predicting their properties, particularly regarding spectroscopy, magnetism and reactivity. We are interested in systems that are have unexpected properties, can achieve difficult molecular transformations, or show promising catalytic activity.
Your tasks
The candidate will work on redox-driven spin state switches and theoretical concepts for electron transfer within the SPP2491 “Interactive Spin-State Switching”. Switching spin states through external stimuli is relevant in a wide range of applications, such as pigments, sensors, and data storage. The candidate will contribute to fundamental concepts for redox-driven spin state switches and apply them to specific transition metal complexes. Using quantum chemical calculations, the candidate will contribute to an improved understanding of their electronic structures.
Your profile
A university science degree (Master or equivalent) in chemistry or an equivalent subject from a university is required. In-depth knowledge of quantum chemistry is required, i.e., fundamentals and applications of Hartree–Fock and density functional theory as well as post-Hartree–Fock methods. Excellent knowledge of fundamental concepts of chemistry and their connection to observables and experiments is expected. Experience in describing electronic structures and properties of inorganic complexes, ideally with multiple transition metal nuclei, is desirable. Knowledge of Linux and high-performance computing environments will be helpful. Documented experience in programming with Python, Julia, or Jupyter Notebooks is beneficial. Business fluent English is required.
We offer
Technical University of Darmstadt offers varied and challenging assignments, freedom to work independently, the latest technologies, good collaboration between colleagues in partnership, needs-based training opportunities and customised personnel development.
Opportunity for further qualification (doctoral dissertation) is given. The fulfillment of the duties likewise enables the scientific qualifications of the candidate.
- Development and organisation – comprehensive in-house training offers, including the opportunity for continuing education and development;
- Annual leave/educational leave – 30 days annual leave (full-time employment) and 5 days educational leave;
- Sustainable and mobile – eligibility to free public transport in the state of Hesse with the LandesTicket Hessen (Hesse StateTicket) in accordance with the currently valid collective agreement, in addition to opportunities to working mobile at times;
- Fit and healthy – free of charge preventive medical check-ups and a wide-ranging subsidised sports programme;
- Work-life balance – flexible working time models, plus BGM (Betriebliches Gesundheitsmanagement – University Health Management);
- Pension scheme – supplementary public service pension scheme (VBL) in accordance with the currently applicable regulations;
- University bicycle
- Family-friendliness/compatibility of family/care/career – (university-run) childcare services, child allowance (based on the collective agreement), childcare programmes during school holidays.
General information, data privacy
TU Darmstadt intends to increase the number of female employees and encourages female candidates to apply. In case of equal qualifications, applicants with a degree of disability of at least 50 or equal will be given preference. Remuneration is in accordance with the collective agreement for the Technical University of Darmstadt (TV – TU Darmstadt). Part-time employment is generally possible.
By submitting your application, you agree that your data may be stored and processed for the purpose of filling the vacancy. You can find our privacy policy on our webpage.
Contact
For enquiries regarding this opening please contact Prof. Dr. Vera Krewald by e-mail under: vera.krewald@tu-darmstadt.de .
Your contact person:
Prof. Dr. Vera Krewald
Published on
10/23/2025
Application deadline
11/23/2025
Technische Universität Darmstadt
Karolinenplatz 5
64289 Darmstadt
