Computational Scientist

TwentyCi Ltd; Greater London; On-site; GBP 65,000 - 95,000; Full time

Job summary

Quantemol is seeking a Computational Physicist to join our quantum chemistry team in the UK, focusing on software development for electron–molecule collision simulations. You will contribute to the QEC codebase and work with academic partners on high‑impact research.

This full‑time role involves scientific software development, customer‑facing projects, and collaboration with leading researchers. Salary is negotiable based on experience.

Qualifications

• 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.

Responsibilities

• Develop, maintain, and extend the QEC electron–molecule collision simulation software.
• Interface with backend quantum chemistry and scattering codes, including R‑matrix implementations.
• Compute electron–molecule cross sections for Quantemol customers across projects.
• Collaborate with the UK R‑matrix community to support development.
• Co‑author publications with academic partners at UCL and other groups.
• Apply quantum chemistry and scattering theory concepts to robust computational solutions.
• Translate scientific requirements into customer‑facing projects and document methods and results.

Skills

Python programming

Communication

Independent work

Team collaboration

Scientific software development

Education

PhD in computational physics or quantum chemistry

Tools

FORTRAN

R-matrix codes

Job description

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.