MDAnalysis Research Software Engineer (Part Time)

King's College London; City of Westminster; Hybrid; GBP 32,000 - 52,000; Part time

Job summary

MDAnalysis is seeking a Research Software Engineer (RSE) to provide dedicated maintenance and development capacity for the MDAnalysis library at King’s College London. This part-time role (0.8 FTE) is funded for 12 months at Grade 6/35.

You will work with a distributed team and focus on release management, documentation, and interoperability with major molecular simulation engines. The post requires a PhD in a relevant field or equivalent experience, strong Python skills, and experience with

Qualifications

• PhD or equivalent experience in computational science fields.
• Strong Python proficiency with NumPy/SciPy relevant ecosystem.
• Experience in software engineering and CI/CD practices.
• Familiarity with open-source project maintenance and release cycles.

Responsibilities

• Maintain and release the MDAnalysis core library and ecosystem.
• Develop and improve User Guide and tutorial infrastructure.
• Manage trajectory formats support (BCIF/MMCIF, Desmond) and test suite modernization.
• Contribute to issue triage, code reviews, and release management in a distributed team.

Skills

Python proficiency

CI/CD practices

Git/GitHub

Open-source software

Technical documentation

Communication in distributed teams

Molecular dynamics software knowledge

Python packaging (PyPI/conda-forge)

Education

PhD in a relevant subject or equivalent

Tools

Git/GitHub

CI/CD tooling

PyPI

conda-forge

OpenMM

GROMACS

MDAnalysis library

Desmond

Job description

MDAnalysis is seeking a Research Software Engineer (RSE) to provide dedicated maintenance and development capacity for the MDAnalysis library at King’s College London. This part-time role (0.8 FTE) is funded for 12 months at Grade 6/35.

You will work with a distributed team and focus on release management, documentation, and interoperability with major molecular simulation engines. The post requires a PhD in a relevant field or equivalent experience, strong Python skills, and experience with