Computational Physicist (Quantum Chemistry)

Job Summary

Quantemol is seeking a Computational Physicist to join our quantum chemistry team, focusing on the development and application of simulation software for electron-molecule collisions. You will work primarily on Quantemol’s QEC codebase, contributing to state-of-the-art computational methods used by academic and industrial customers. The role combines scientific software development, customer-facing project work, and high-impact research in collaboration with leading academic partners. This is a full-time role. Salary negotiable based on experience.

Responsibilities

• Develop, maintain, and extend the QEC electron-molecule collision simulation software.

• Work with and interface to established backend quantum chemistry and scattering codes, including R-matrix-based implementations.

• Perform electron-molecule cross section calculations for Quantemol customers across research and industrial projects.

• Engage closely with the UK R-matrix code community to support and align ongoing development.

• Collaborate on scientific publications with Prof. Jonathan Tennyson and the research group at University College London.

• Apply advanced quantum chemistry and scattering theory concepts, including excited states and cross sections.

• Contribute to consultative, customer-facing projects, translating scientific requirements into robust computational solutions.

• Document code, methods, and results to support reproducibility and long-term maintenance.

Qualifications

Required

• PhD in computational physics, quantum chemistry, or a closely related discipline.

• Strong background in quantum chemistry and electron-molecule collision theory, including excited states and cross sections.

• Excellent Python programming skills and experience working with scientific codebases.

• Ability to work independently while collaborating effectively within a research-driven team.

• Clear written and verbal communication skills.

Preferred

• At least one year of relevant professional experience as a postdoctoral researcher or non-academic professional.

• Experience working with FORTRAN codebases, particularly legacy or high-performance scientific software.

• Familiarity with R-matrix-based electron scattering codes.

• Experience delivering consultative or customer-facing scientific projects.

• Experience with front-end development for scientific or engineering software.

• Familiarity with collaborative software development practices and version control.

• Track record of contributing to peer-reviewed scientific publications.

Please note: visa sponsorship is not available for this role. Applicants must have the existing right to work in the UK.