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

BIOVIA는 혁신적인 의약품, 재료 및 제조법을 발견, 설계, 개발 및 출시하는 데 필요한 과학적 솔루션을 제공합니다.
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