Open position: Materials modeling expert

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 responsibilities

  • Develop tools for computing materials properties from first principles. Compular lives off of replacing experiments with simulations and you will be part of the team that develops the frameworks that do so, property by property.
  • Stay updated with scientific developments. You will ensure that we stay on top of developments in atomic-scale simulations of materials that are relevant for battery research.
  • 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 atomic-scale modeling of materials, probably attained through a PhD.
  • Experience with molecular dynamics and density-functional theory.
  • Deep understanding of statistical mechanics and how to apply it to specific problems in materials modeling.
  • Experience with kinetic Monte Carlo is meritorious.
  • Comfortable with using existing codes of different kinds as well as implementing new algorithms in for example C++ or Python.
  • 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.