Open position: Quantum chemist

At Compular we build software to unleash the power of computational chemistry and physics to help industry develop the materials of tomorrow. We are a startup, founded in 2020, and are now growing our team with multiple chemists, physicists, and developers to boost our models, methodologies, and software to make faster and better predictions of battery materials properties. This is a rare opportunity to transfer computational methods usually associated with academia to an industrial setting.

Key responsibilties

As quantum chemist you will:

  • Develop tools for investigating chemical reaction networks.
  • Evaluate and use quantum mechanical methodologies (first-principles and data-driven) for computing various chemical properties. We strive to be agile and always choose the right tool for each task.
  • Stay updated with scientific developments. You will ensure that we stay on top of developments in the quantum chemistry field that are relevant for battery modeling.
  • Provide expertise in customer interaction. Your technical expertise will be essential in maintaining and enhancing client trust and satisfaction.
  • Share your knowledge with the team. Collaboration within our team is vital for the integration and development of our battery modeling toolchain. By sharing your expertise, you’ll contribute to a cohesive and innovative working environment where collective knowledge drives progress.


The successful candidate will possess some or all of the following qualifications:

  • Expertise in quantum chemistry, probably attained through a PhD.
  • Deep knowledge of organic chemistry and electrochemistry and a good understanding of electrolytes.
  • Well versed in usage of density functional theory (DFT) to solve problems, probably using several different codes.
  • Experience with kinetic Monte Carlo is meritorious.
  • Comfortable using Linux-based HPC environments and basic scripting in Bash and Python.
  • Excellent communication skills in both written and spoken English.
  • Comfortable working in a fast-paced environment where priorities can change quickly and uncertainty is the default state.

What’s in it for you?

At Compular you will join a small team with high ambitions, pushing the boundaries and changing the way materials are developed. Being a startup means we have a lot of freedom, and so do you – we always try to improve how we work such that everyone can thrive. Roles are fluid and flexible and you will have the chance to broaden your responsibilities if you want to, which means you can gather a lot of experience by working with us. Our office is located at Vasagatan in central Gothenburg, Sweden, but we also support hybrid work arrangements when that is more practical. We offer competitive salaries.

Interested? Please write something about yourself and send your resume to and we will get in touch with you. We review applications continuously.