At a Glance
- Tasks: Maintain and develop the MDAnalysis library, impacting researchers globally.
- Company: Join King's College London, a top research university with a collaborative culture.
- Benefits: Part-time role with flexible hours, competitive salary, and professional growth opportunities.
- Other info: Work with a global team and contribute to exciting scientific projects.
- Why this job: Make a real difference in open-source software used in drug discovery and biophysics.
- Qualifications: PhD or equivalent experience in relevant fields; strong Python skills required.
The predicted salary is between 29250 - 35750 £ per year.
We are seeking a Research Software Engineer (RSE) to provide dedicated maintenance and development capacity for the MDAnalysis library. This post is funded part-time, 80% FTE by a Software Sustainability Institute Research Software Maintenance Fund (RSMF) grant. The role offers a unique opportunity to have a direct impact on open-source software used by thousands of researchers worldwide across drug discovery, materials science and biophysics.
The RSE will work across the MDAnalysis codebase on release management, reducing technical debt and maintain interoperability with all major molecular simulation engines. Key deliverables include:
- maintaining the core library, User Guide and associated ecosystem
- implementing support for new trajectory file formats (BCIF/MMCIF, Desmond)
- modernising the test suite
- auditing and documenting CI/CD pipelines
- supporting the MDAKits package ecosystem
- improving the MDAnalysis UserGuide and tutorial infrastructure
- reviewing community pull requests to reduce review cycle times and improve contributor retention
The post holder will work closely with the PI (Dr Micaela Matta), the MDAnalysis Community Manager, and will be supported by a globally distributed team of Core Developers. Day-to-day communication across the team takes place via GitHub, Discord, and regular hybrid meetings. This is a part-time post (28 hours per week, 0.8 FTE), and you will be offered a fixed term contract until 30th September 2027.
To be successful in this role, we are looking for candidates to have the following skills and experience:
- PhD qualified in a relevant subject area (e.g. computational chemistry, computational physics, computational materials science, bioinformatics, computer science, or a related discipline), or equivalent professional experience in research software engineering
- Strong proficiency in Python, including experience with NumPy, SciPy, and the scientific Python ecosystem
- Demonstrable experience with software engineering best practices: version control (Git/GitHub), continuous integration/continuous deployment (CI/CD), and automated testing
- Demonstrable experience with managing or contributing to open-source software projects, including code review, issue triage, and release management
- Ability to write clear technical documentation for both users and developers
- Strong communication skills and ability to work effectively within a distributed, international team
Desirable criteria:
- Demonstrable experience with molecular dynamics simulations or computational chemistry/physics software; knowledge of molecular file formats (PDB, mmCIF, GRO, XTC, DCD, etc.) and simulation engines (GROMACS, AMBER, NAMD, LAMMPS, OpenMM)
- Familiarity with the MDAnalysis library or similar scientific analysis frameworks (e.g. MDTraj, GROMACS tools, VMD)
- Demonstrable experience with packaging and distribution of Python software (PyPI, conda-forge)
- Demonstrable experience with maintaining open-source software projects
- Experience contributing to or mentoring within open-source communities (e.g. Google Summer of Code)
Please note that this is a PhD level role but candidates who have submitted their thesis and are awaiting award of their PhDs will be considered. In these circumstances the appointment will be made at Grade 5, spine point 30 with the title of Research Assistant. Upon confirmation of the award of the PhD, the job title will become Research Associate and the salary will increase to Grade 6.
King's College London is one of the top research universities in the world, and one of the oldest and most prestigious in England. The Department of Chemistry sits within the Faculty of Natural, Mathematical & Engineering Sciences and hosts research across computational chemistry, materials science, chemical biology, and physical chemistry. The MDAnalysis project is a widely-used open-source Python library for the analysis of molecular dynamics simulations, with over 6,500 academic citations, ~100,000 monthly downloads, and a global community of 200+ contributors. MDAnalysis is a fiscally sponsored project of NumFOCUS and has previously been funded by the Chan Zuckerberg Initiative and the US National Science Foundation. At King's, we believe that the diversity of our community and a culture that is welcoming, open, inclusive and collaborative, are great strengths of the university.
Research Associate Software Engineer (MDAnalysis) employer: King's College London
At King’s College London, we pride ourselves on being an exceptional employer that fosters a collaborative and innovative work culture. Our commitment to employee growth is evident through comprehensive training opportunities and a supportive environment that encourages professional development. Located in the heart of London, our institution offers unique advantages such as access to world-class resources and a vibrant community dedicated to advancing research and education.
StudySmarter Expert Advice🤫
We think this is how you could land Research Associate Software Engineer (MDAnalysis)
✨Join Local Coding Meetups
Get involved in local coding meetups or tech events. These gatherings are perfect for networking with other software engineers, showcasing your skills, and even getting a chance to meet potential employers face-to-face. Plus, it's a great way to learn about part-time opportunities that might not be widely advertised.
✨Contribute to Open Source Projects
Dive into some open-source projects on platforms like GitHub. This not only enhances your coding skills but also builds a solid portfolio that shows potential employers your real-world experience. Open-source contributions can lead directly to job offers since many companies scout talent in the community.
✨Utilise University Career Services
If you're in or near university, make the most of those career services! They often have connections with local tech companies looking for part-time developers and can provide valuable resources for finding job leads or prep for interviews.
✨Showcase Your Work
Build a personal website or portfolio that highlights your projects, skills, and any relevant experience. It’s a fantastic way to stand out and we encourage you to link to it in your applications. Don't forget: you can easily apply for part-time roles through our website at King's College London—just remember to include that link!
We think you need these skills to ace Research Associate Software Engineer (MDAnalysis)
Some tips for your application 🫡
Highlight Your Coding Skills:Make sure to prominently feature your coding skills in your CV. List the programming languages and technologies you're comfortable with, as well as any relevant projects you've worked on. Don’t forget to link to your GitHub profile or any other coding platform where you showcase your work – it's a great way for us at King's College London to see your skills in action!
Show Off Your Problem-Solving Skills:As a part-time software developer, problem-solving is key. In your application, try to include examples of how you've tackled tough coding challenges or bugs. If you can quantify your achievements, even better! This not only shows your technical prowess but also your ability to think critically and creatively.
Tailor Your CV for Part-Time Work:For a part-time role, it’s essential to show that you’re flexible and can manage your time well. Within your CV, highlight any previous experience balancing multiple commitments or projects. It’ll reassure us that you can juggle responsibilities without compromising on quality.
Craft Your Cover Letter with Passion:Your cover letter is your chance to show us your enthusiasm for software development. Share why you're excited about joining King's College London specifically, and what you hope to gain from this part-time role. Your motivation and eagerness to learn can really set you apart from the crowd!
How to prepare for a job interview at King's College London
✨Show Off Your Code
Make sure to prepare a few coding samples or projects to share during your interview for the part-time software engineering position at King's College London. Potential employers love to see tangible evidence of your skills, so having a well-organised GitHub profile or portfolio can really make you stand out.
✨Brush Up on Problem Solving
Expect a few technical questions or coding challenges that assess your problem-solving abilities. Companies like King's College London often want to see how you think through a problem, so practise common algorithms and data structures to showcase your thought process and technical know-how.
✨Know Your Tools
Familiarise yourself with the specific programming languages and tools relevant to the role. If the job listing mentions languages like Python or JavaScript, make sure you can discuss your experience with them confidently. Knowing frameworks and libraries they use can give you an edge.
✨Highlight Your Flexibility
Since this is a part-time position, be ready to discuss how you can manage your time effectively and fit the role around your other commitments. Being able to demonstrate your adaptability and proactivity shows that you can balance work, study, or other responsibilities without dropping the ball for King's College London.
