PhD Quantum Computing for computational chemistry

Job type: 


Application deadline: 

Sunday, December 31, 2023

During your doctorate, you will be a valued member and integral part of our quantum computing team (led by Dr. Christian Gogolin) within the Digital Research & Development department at Covestro. The position comes with the offer to be associated with the group of Prof. Dr. David Gross at the University of Cologne, which would award the degree. Arrangements with other supervisors and host universities are possible. As a PhD candidate, you will be given opportunities to contribute to collaborations with Google Quantum AI and the quantum computing startup QC Ware.
For recent publications of the group see

This setup provides a unique opportunity to work on cutting-edge research and technology, and to gain industry experience.

Over the course of your PhD, you will join our diverse, international, and interdisciplinary Digital R&D team, and undertake the following responsibilities:

- You will gain knowledge on quantum computing and actively participate in quantum algorithm development

- You will learn quantum programming through hands-on experience with state-of-the art Python toolkits and contribute to our quantum computing software stack

- Understanding and implementing classical quantum chemistry methods in the context of quantum computing, and applying these methods to industrially relevant research questions will be an integral part of your work

- You will collaborate towards the collective goal of advancing quantum computing research

- You will develop expert knowledge in scientific programming, software development, and high-performance computing

- You will communicate and disseminate the results of your work, proactively engage in discussions within the team, and present your work to the broader scientific community through journal articles and presentations


- For this position, you have a Master’s degree in Chemistry, Physics, Computer Science, Mathematics, Data Science, or with comparable relevant experience in these areas

- You are a curious individual, eager to contribute directly to the research frontier

- You are experienced in (scientific) software development in Python

- You are strongly interested in learning about state-of-the-art electronic structure methods and their applications for computational chemistry

- You are eager to learn about the Python ecosystem for quantum computing and quantum chemistry (e.g., PySCF, Psi4, OpenFermion, PennyLane, Cirq, …) and to make use of it in your daily work

- Interest in software development workflows and tools (e.g. version control and continuous integration) is required, previous experience is of advantage

- Excellent communication skills, with oral and written fluency in English, round off your profile

- This position is designed for a three-year duration, with a flexible start date.

- For initial questions in regards to the recruiting process please contact Ms. Elisa Grunwald (