PhD in Closed-Loop Design of Homogeneous Catalysts (1.0 FTE)

Among the most challenging to develop catalytic reactions are stereoselective processes. Typically, a family of catalysts is explored based on a preliminary hypothesis. After initial experimental results, further research is guided by trial and error with the goal of deriving intuitive trends. Data-driven approaches are attractive alternatives. Descriptors are used to characterize the molecular properties of catalysts together with statistical methods to derive predictive models for selective catalysis. In a data-driven approach, an initial set of reactions is analyzed and used to establish such a model. A new set of catalysts can then be predicted and tested. Subsequently, the new data is fed back into the model to improve its prediction capabilities.



In recent years, copper(I) hydride (CuH) catalyzed hydrofunctionalization has evolved as a reliable method to form new C-C and C-N bonds from alkenes and suitable electrophiles. The ligands commonly employed are exclusively chiral bisphosphines, which allows modulation of both reactivity and selectivity. However, the scope of the tested ligands in these reactions is still rather limited and comprehensive structure-property relationships are rare, providing a large open catalyst space to be explored. This project will rely on data-driven workflows for the closed-loop design of ligands that will facilitate challenging CuH-catalyzed hydrofunctionalization reactions.



The goal of this project is to: 1) develop robust experimental high-throughput ligand testing workflows for CuH-catalyzed hydrofunctionalizations; 2) build data-driven predictive models for catalyst activities and selectivities; 3) implement closed-loop ligand optimization for reactivity and stereoselectivity.



This position will be part of the Marie-Sklodowska-Curie Doctoral Network CATALOOP (https://www.tu-chemnitz.de/cataloop/). This network aims at the development of powerful and readily applicable workflows for data-driven development of stereoselective catalysis. As a main training goal, we want to educate researchers in comprehensive data-driven experimental approaches for realizing challenging asymmetric catalytic methods. This network brings together academic research groups with expertise in experimental catalyst development and theoretical groups skilled in computational chemistry and data-driven approaches to develop new catalytic asymmetric reactions. World-leading industrial partners with a wide range of interests will provide advice on which approaches may have the most impact on industry and will also host the students in secondments.



Please note that for applications in the Marie-Sklodowska-Curie program funded by the European Commission there is a strict mobility regulation. In general, you must not have resided in the country of the PhD placement for longer than 12 months prior to the start of the network program in October 2025. Please have a look at the following link for more details: https://marie-sklodowska-curie-actions.ec.europa.eu/actions/doctoral-net...



Organization

Founded in 1614, the University of Groningen enjoys an excellent international reputation as a dynamic and innovative institution of higher education offering high-quality teaching and research. Flexible study programs and academic career opportunities in a wide variety of disciplines encourage the 34,000 students and researchers alike to develop their own individual talents. As one of the best research institutions in Europe, the University of Groningen has joined forces with other top universities and networks worldwide to become a truly global center of knowledge, situated in the vibrant city of Groningen in the north of The Netherlands.

Requirements:

The successful candidate for this position will have the following qualifications/qualities



- An MSc degree in chemistry or a related field.

- Very strong academic performance.

- Experience in experimental organic chemistry.

- Experience in experimental homogeneous catalysis.

- Basic knowledge about the programming language Python.

- Strong interest in combining computational and experimental chemistry.

- Excellent knowledge of written and spoken English.

- Excellent communication skills, especially for collaborating with others.

- Enthusiasm and initiative to perform creative research in an interdisciplinary setting.

- You must not have resided in the country of the PhD placement for longer than 12 months prior to the start of the network program in October 2025.



Applicants whose first language is not English must submit evidence of competency in English, please see the University of Groningen’s English Language Requirements for details.

Salary Benefits:

The University of Groningen offers, in accordance with the Collective Labour Agreement for Dutch Universities



- A salary of € 2,901 gross per month in the first year, up to a maximum of € 3,707 gross per month in the fourth and final year, based on a full-time position (1.0 FTE).

- A gross holiday allowance of 8%.

- A gross 8.3% year-end bonus.

- A position for four years; you will get a temporary position of one year with the option of renewal for another three years; prolongation of the contract is contingent on sufficient progress in the first year to indicate that a successful completion of the PhD thesis within the next three years is to be expected.



The starting date is October 1st, 2025.

38 hours per week

Broerstraat 5