PhD position in computational chemistry in Heidelberg


The Computational Carbon Chemistry (CCC) group at the Heidelberg Institute for Theoretical Studies (HITS gGmbH) and Heidelberg University seeks to fill one PhD position to work on the project entitled “Theoretical Investigation of Stability and Reactivity of Open-Shell N-Heteropolycycles” within the collaborative research centre SFB 1249 “N-Heteropolycycles as Functional Materials”

We are looking for a highly motivated scientist to join the CCC at HITS and work on an interdisciplinary research project in collaboration with theoreticians and experimentalists from Heidelberg University and Karlsruhe Institute of Technology. Your research project will focus on the properties of open-shell nitrogen-containing heteropolycycles and employ a combination of quantum chemistry and machine learning with an ultimate goal to map the established structure-property relationships onto the vast chemical space of these fascinating species.

You will work in a dynamic research group and use state-of-the-art computational chemistry methods. A generous research budget is available, e.g. to attend conferences, as well as a competitive benefits package. You will be based at the Heidelberg Institute for Theoretical Studies, where you will find first-class research environment and outstanding computational infrastructure in a beautiful green setting on the banks of the Neckar river. For more information regarding working at HITS see Working at HITS.

Successful PhD candidates should have a master’s degree in chemistry, physics or a related discipline, and an experience in chemical modelling and numerical simulations.

To apply, please provide a motivation letter, your CV including a publications list, relevant certificates/diplomas, and contact details of two referees.

Deadline for applications is February 15, 2020; the earliest starting date is March 1, 2020, negotiable.

Visit for more details on the position and application procedure. For more details about the CCC group visit Computational Carbon Chemistry (CCC). General inquiries should be sent directly to Dr. Ganna (Anya) Gryn’ova: Dr. Ganna (Anya) Gryn’ova.