The Division of Quantum Chemistry and Physical Chemistry at KU Leuven offers Ph.D. positions in quantum chemistry, focusing on the ERC-funded project UNBOUND TWO (Theory of Nonradiative Decay with Two or More Electrons at Play). Successful candidates will join a vibrant international research environment, working under the supervision of Prof. dr. Thomas Jagau. The project centers on the development, implementation, and application of advanced quantum-chemical methods to interpret spectroscopies involving two or more unbound electrons, requiring a balanced treatment of singly- and doubly-excited states.

Research will explore the interaction of organic molecules and transition-metal compounds in gas phase and solution with ionizing radiation and free electrons across a broad energy range. Key processes studied include Auger and Coster-Kronig cascades, dissociative recombination, and dissociative electron attachment. The group is highly international, with four professors and numerous Ph.D. students and postdocs, offering a dynamic and collaborative atmosphere.

Applicants should have a master's degree in chemistry or physics (or equivalent), a genuine interest in quantum chemistry and electronic-structure theory, and proficiency in mathematics (especially linear algebra) and quantum mechanics. Good programming skills (preferably C++) are highly desirable, and experience with quantum-chemical calculations, particularly coupled-cluster theory, is advantageous but not required. English proficiency is essential. Projects can be tailored to the candidate's expertise and interests.

The position offers a competitive, tax-exempt fellowship with full social security benefits, holiday and end-of-year bonuses, bicycle allowance, and discounted access to cultural and sports facilities. The initial contract is for one year, renewable up to four years after positive evaluation. Additional support includes budgets for conference participation and consumables, as well as training in management, science communication, and teaching through the Arenberg Doctoral School. Up to 20% of work time may be devoted to service duties such as teaching and supervision of master students. The start date is negotiable, preferably before 1 October 2026.

KU Leuven is committed to diversity, inclusion, and equal opportunity, fostering a respectful and socially safe environment. Applications should include a cover letter, CV, transcripts, master thesis, and contact details for 2–3 academic referees. For further information, contact Prof. dr. Thomas Jagau at [email protected]. Apply via the KU Leuven jobsite link provided.