Software Engineer Intern (Materials Simulation) – 3-Month Internship
Join our BIOVIA Materials Simulation team based in Cambridge UK, as a Software Engineer Intern, where you will contribute to the development and optimization of advanced molecular simulation methods within computational materials science.
During this 3-month internship, you will contribute to the evaluation and optimization of machine-learned interatomic potentials, with a particular focus on the MACE, a model based on the Atomic Cluster Expansion framework. You will collaborate with experienced researchers and software developers to analyze performance, identify optimization opportunities and support the advancement of next-generation molecular simulation tools.
Role Description & Responsibilities
- Analyze the performance of molecular simulation workflows and identify areas for optimization
- Develop and test software solutions using Python where appropriate
- Support the validation of simulation results and document findings
- Collaborate with multidisciplinary scientists and software engineers within the Materials Simulation team
- Present progress and recommendations throughout the internship
Qualifications
- Currently enrolled in an MSc or PhD program in Mathematics, Physics, Chemistry, Chemical Engineering, Materials Science, or a related discipline
- Good programming skills and general IT proficiency
- Experience with scripting languages, preferably Python
- Understanding of mathematics, computational methods, or physical sciences
- Strong analytical and problem-solving skills with an interest in computational materials science
- Interest in molecular simulation, machine learning, or scientific computing is considered an advantage
- Strong communication skills in English and the ability to work effectively in a collaborative research environment
What’s in it for you
- A unique opportunity to gain hands-on experience in a global tech company
- Exposure to real-world projects and collaboration with experienced professionals in an international, multicultural team
- A supportive environment that encourages learning, innovation and personal growth
Interested? Click on "Apply" to upload your application documents
Inclusion statement

BIOVIA provides scientific solutions to discover, design, develop and deliver innovative drugs, materials and formulas.
Want to learn more?
Visit the other sections of our website to find out more.
Our Culture & Values
Discover our culture and values.
Your Recruitment Journey
Get to know about your recruitment journey.
Students & Graduates
Be part of the future of our workforce – check out internship and job opportunities.