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For Companies At a Glance
- Tasks: Develop cutting-edge computational methods and contribute to open-source software.
- Company: Join the Duarte Group, a leader in computational chemistry and innovative research.
- Benefits: Fixed-term position with opportunities for mentorship and collaboration.
- Why this job: Make a real impact in ML and reaction modelling while advancing your career.
- Qualifications: PhD in relevant field and strong programming skills in Python and C/C++.
- Other info: Engage with a dynamic team and contribute to high-quality scientific research.
The predicted salary is between 36000 - 60000 £ per year.
About the Team
The Duarte Group is a leader in computational chemistry, developing predictive tools for reaction modelling and molecular design across catalysis, sustainability, and health. We create widely used open-source software, including autodE, cgbind/C3, and mlp-train, and are pioneering new frameworks for training Machine Learning Interatomic Potentials (MLIPs).
Position Overview
We are seeking a highly motivated Research Software Engineer to join our ERC-funded project, ML4MetaLigM, focused on advancing MLIPs for reaction modelling in the condensed phase. This role combines cutting‑edge research with the development of robust, open scientific software. This is a fixed‑term position for 3 years.
Responsibilities
- Develop and implement new computational methods and MLIP workflows.
- Contribute to high‑quality, maintainable open‑source code, and support reproducible research.
- Publish research, collaborate with national and international partners, mentor junior researchers, and deliver training in software best practices.
- Use high‑performance computing resources and contribute to the broader RSE community in Oxford.
Qualifications
- Hold (or be close to completing) a PhD in computational chemistry, physics, chemical engineering, computer science (chemistry-focused), or a related field.
- Strong programming skills in Python and C/C++ are required, along with experience in molecular simulations, machine learning, or reaction modelling.
- Track record of contributing to open-source scientific software using modern development practices (e.g., code review, CI) is essential, as is evidence of high-quality research outputs.
- Experience with ML for atomistic modelling (e.g., MACE, ACE, NequIP, PhysNet), reactive or enhanced sampling methods, community-facing open-source projects, or delivering technical training would be advantageous.
Research software engineer employer: University of Oxford
Contact Detail:
University of Oxford Recruiting Team
StudySmarter Expert Advice 🤫
We think this is how you could land Research software engineer
✨Tip Number 1
Network like a pro! Reach out to folks in the computational chemistry and software engineering communities. Attend meetups, webinars, or conferences where you can chat with potential colleagues and learn about opportunities that might not be advertised.
✨Tip Number 2
Show off your skills! Create a GitHub profile showcasing your open-source contributions and projects. This is a great way to demonstrate your programming prowess in Python and C/C++, and it gives hiring managers a peek into your coding style and problem-solving abilities.
✨Tip Number 3
Prepare for technical interviews by brushing up on your knowledge of MLIPs and molecular simulations. Practice coding challenges and be ready to discuss your past projects and how they relate to the role. We want to see your thought process and how you tackle complex problems!
✨Tip Number 4
Don’t forget to apply through our website! It’s the best way to ensure your application gets seen. Plus, we love seeing candidates who are proactive and engaged with our work in the open-source community.
We think you need these skills to ace Research software engineer
Some tips for your application 🫡
Tailor Your CV: Make sure your CV highlights your experience in computational chemistry and programming skills in Python and C/C++. We want to see how your background aligns with our focus on MLIPs and reaction modelling, so don’t hold back!
Showcase Your Projects: Include any relevant open-source projects you've contributed to, especially those involving machine learning or molecular simulations. We love seeing practical examples of your work, so link to your GitHub or any other platforms where we can check out your code.
Craft a Compelling Cover Letter: Your cover letter is your chance to shine! Tell us why you’re excited about the role and how your skills can contribute to our ERC-funded project. Be genuine and let your passion for research and software development come through.
Apply Through Our Website: We encourage you to apply directly through our website. It’s the best way to ensure your application gets into the right hands. Plus, it shows us you’re keen on joining the StudySmarter team!
How to prepare for a job interview at University of Oxford
✨Know Your Stuff
Make sure you brush up on your knowledge of computational chemistry and machine learning. Familiarise yourself with the specific tools and software mentioned in the job description, like autodE and mlp-train. Being able to discuss these confidently will show that you're genuinely interested and well-prepared.
✨Showcase Your Code
Since strong programming skills are a must, be ready to share examples of your previous work. Bring along snippets of code or projects you've contributed to, especially if they relate to open-source software. This will demonstrate your practical experience and commitment to high-quality coding practices.
✨Collaborative Spirit
This role involves working with national and international partners, so highlight any past experiences where you've collaborated effectively. Be prepared to discuss how you’ve mentored others or contributed to team projects, as this shows you can thrive in a collaborative environment.
✨Ask Smart Questions
Prepare thoughtful questions about the team's current projects and future goals. Inquire about their approach to developing MLIPs or how they ensure reproducibility in research. This not only shows your enthusiasm but also helps you gauge if the team is the right fit for you.