PhD Positions in Quantum Chemistry at KU Leuven – UNBOUND TWO Project

KU Leuven’s Division of Quantum Chemistry and Physical Chemistry is offering PhD positions as part of the ERC Consolidator Grant-funded UNBOUND TWO project, supervised by Prof. Thomas Jagau. These positions focus on the development, implementation, and application of advanced quantum-chemical methods to study spectroscopies involving two or more unbound electrons. Research topics include the treatment of singly- and doubly-excited states, the study of organic molecules and transition-metal compounds in both gas phase and solution, and their interactions with ionizing radiation and free electrons. Key processes under investigation are Auger and Coster-Kronig cascades, dissociative recombination, and dissociative electron attachment. The project offers flexibility, allowing research topics to be tailored to the candidate’s expertise and interests. Candidates will have the opportunity to combine theoretical method development, computational modeling, and high-level electronic structure theory in a collaborative, internationally recognized research environment. Applicants should have a Master’s degree in chemistry, physics, or a related field, with strong knowledge of quantum mechanics and linear algebra. Programming skills, preferably in C++, and experience with quantum-chemical calculations (such as coupled-cluster theory) are advantageous. Proficiency in English is required. KU Leuven provides a competitive, tax-exempt PhD fellowship with social security, holiday and end-of-year bonuses, and a bicycle allowance. Additional benefits include a budget for conference participation and consumables, access to training in management, science communication, and teaching via the Arenberg Doctoral School, and up to 20% time for teaching and supervision of master students. The fellowship is for up to 4 years (initial 1-year contract, renewable). The start date is negotiable, preferably before 1 October 2026. To apply, candidates should prepare a brief cover letter explaining their research interests and motivation, a curriculum vitae, transcripts of bachelor and master courses (or current grades if in the final year), a master thesis (or bachelor thesis if in the final year), and the names and contact details of 2–3 academic referees. Applications should be sent to Prof. Thomas Jagau at [email protected] by 1 April 2026. For technical support, contact [email protected]. More information is available on the KU Leuven jobsite . This opportunity is ideal for candidates eager to advance the field of quantum chemistry through innovative research in a supportive and resource-rich academic setting.