Ph.D. positions in quantum chemistry

Organisation/Company KU LEUVEN Research Field Chemistry » Computational chemistry Physics » Chemical physics Researcher Profile First Stage Researcher (R1) Final date to receive applications 1 Apr 2026 - 23:59 (UTC) Country Belgium Type of Contract Temporary Job Status Full-time Offer Starting Date 1 May 2026 Is the job funded through the EU Research Framework Programme? Horizon Europe - ERC Reference Number BAP
- Marie Curie Grant Agreement Number  Is the Job related to staff position within a Research Infrastructure? No

The successful candidates will work on the development, implementation, and application of new quantum-chemical methods that are needed to interpret spectroscopies involving two or more unbound electrons. This requires an evenhanded treatment of singly-excited and doubly-excited states. With the new methods, we will study the interaction of organic molecules and transition-metal compounds in gas phase and solution with ionizing radiation and free electrons over an energy range from 1000 eV.

This includes processes such as Auger and Coster-Kronig cascades, dissociative recombination, and dissociative electron attachment.

• A genuine interest in quantum chemistry and electronic-structure theory is paramount.
• Applicants should hold a master degree in chemistry or physics or an equivalent degree.
• A good command of basic mathematics, in particular linear algebra, and quantum mechanics is required.
• Good programming skills (preferably C++) are highly desirable.
• Experience with quantum-chemical calculations, especially coupled-cluster theory, is desirable, but not necessarily required.
• Proficiency in spoken and written English is required.
• Projects can be tailored to fit the expertise, scientific background, and interest of the successful applicants.
• Competitive tax-exempt fellowship including full social security benefits, holiday bonus, end-of-year bonus, bicycle allowance, and access to cultural and sports facilities at discounted rates.
• The work contract is initially for 1 year and renewable for up to 4 years after positive evaluation.
• Budgets for conference participation and consumables.
• Training in management, science communication, and teaching as offered by the Arenberg Doctoral School of KU Leuven.
• High-level exciting international research environment, large international research network, recognised international reputation.
• Up to 20% of the work time will be devoted to service duties, such as teaching and supervision of master students.
• The start date is negotiable but preferably before 1 October 2026.

Your application should include in pdf format–a brief cover letter explaining your research interests and motivation to apply,–your curriculum vitae,–transcripts of grades obtained for all university courses taken at bachelor and master level (if you are in the last year of a master program: grades obtained up to date),–a copy of your master thesis(if you are in the last year of a master program: your bachelor thesis or an equivalent document),–the names and contact details of 2–3 academic referees (preferably not all from the same institution).
For more information please contact Prof. dr. Thomas Jagau, mail:  .