1. A genuine interest in quantum chemistry and electronic-structure theory is paramount.
2. Applicants should hold a Ph.D. degree in theoretical chemistry or theoretical physics or an equivalent degree.
3. Good programming skills (preferably C++) are required.
4. Experience with one of the following topics is especially desirable: 1) higher-order coupled-cluster methods such as CC3, CCSDT, and CCSDt, 2) scalar-relativistic and spin-orbit effects, 3) dissociative recombination and dissociative electron attachment.
5. Proficiency in spoken and written English is required.
6. Projects can be tailored to fit the expertise, scientific background, and interest of the successful applicants.
The project UNBOUND TWO aims to develop the quantum chemistry methods that is 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. Successful candidates are expected to take the lead in developing, implementing, and applying new quantum-chemical methods. This includes
7. code development for higher-order coupled-cluster methods such as CC3, CCSDT, and CCSDt,
8. development of methods for the treatment of scalar-relativistic and spin-orbit effects, including applications to 3d transition-metal compounds,
9. theoretical modeling of dissociative recombination and dissociative electron attachment.
Assistance in other research and teaching activities such as guidance of bachelor, master and Ph.D. students may be required.
The Division of Quantum Chemistry and Physical Chemistry within the Department of Chemistry consists of four professors and many Ph.D. students and postdoctoral researchers of various international backgrounds. The successful candidates will be part of the project UNBOUND TWO (Theory of Nonradiative Decay with Two or More Electrons at Play) funded by an ERC Consolidator Grant and work under the supervision of Prof. dr. Thomas Jagau.
10. Competitive tax-exempt fellowship commensurate with seniority and experience, and including full social security benefits, holiday bonus, end-of-year bonus, bicycle allowance, and access to cultural and sports facilities at discounted rates.
11. The work contract is initially for 1 year and renewable once after positive evaluation.
12. Budgets for conference participation and consumables.
13. High-level exciting international research environment, large international research network, recognized international reputation.
14. Possibility to take part in the teaching activities of the department and to be promotor of master students.
15. Possibility to extend the research project through application for an FWO or MSCA fellowship.
16. The start date is negotiable but preferably before 1 October 2026.