Theoretical Chemist / Senior Developer Quantum Computing (m/f/d)

Job type: 

Application deadline: 

Thursday, March 31, 2022

You will develop, integrate, and apply quantum computing and advanced classical methods for computational chemistry. You will benefit from the internal expertise, a network of multi-year collaborations with high profile players in this space including the Google Quantum AI team and quantum computing startup QC Ware, as well as state-of-the-art HPC infrastructure. Through this setup, you will get the opportunity to work in industry on cutting edge technology and do basic science and method development.

The Digital R&D (DRD) department is responsible for innovative computer-aided solutions for chemical product and application development at Covestro. DRD integrates expertise in material simulation and computational chemistry as well as competences in laboratory digitalization, R&D data science and high-performance computing (HPC).

You will be part of the diverse, international, and interdisciplinary Digital R&D team at Covestro and will perform the following tasks:

You will work on quantum algorithm development and quantum programming with PennyLane and Cirq

You will benchmark and apply quantum computing and cutting-edge classical methods of computational chemistry (e.g., CASSCF, DMRG, CASPT2, NEVPT2, …)

You will identify use cases for these methods in exchange with applied computational and laboratory chemists with a focus on chemical processes for achieving Covestro’s vision of circular economy

Finally, you will have the opportunity to write patent applications and publish in scientific journals


You hold a PhD in the area of quantum theory/information/computing or a PhD in theoretical or computational chemistry with a focus on methods and their development for strongly correlated systems combined with substantial interest in the respective other field

You have a strong track record of scientific publications and ideally relevant experience as either postdoctoral researcher or member of a technology/software startup or industry R&D group

You know how to use Python’s advanced language features (classes, decorators, generators, …), data types, and relevant standard libraries (e.g., numpy, scipy, pandas, …)

Ideally you have experience with professional software development workflows and tools (version control, unit testing, containers, DevOps,…)

You are well versed using the Linux command line and have experience with high performance computing (e.g., Slurm, Singularity, OpenMP, Cuda, …)

You have a strong interest, desire and the ability to find and apply new computing, programming and mathematical concepts to solve scientific and technical problems

You complement our team with your proactive work attitude, have good time and self-management and are fluid in English.

This position has a flexible starting date. Fully time employment is preferred, part time also possible.

First questions will be answered by Ms Isabell Ramrath Phone: +49 214 6009 8246.

Only applications via the official website can be considered. The position will remain open until a suitable candidate is identified.