Requirements

• MSc in computer science, mathematics, physics, chemistry, or a related area
• Proficiency in collaborative software engineering in Python and in C++ or Fortran
• Experience with maintenance of open-source libraries or commercial software packages
• Understanding CPU and GPU compute architecture fundamentals
• Experience with agentic software development
• Ability to work in an interdisciplinary collaborative environment and communicate technical concepts effectively to non-experts

Nice to haves

• PhD degree in computer science, mathematics, physics, chemistry, or a related area or comparable industry experience
• Experience with CUDA/Triton programming
• Experience with developing and optimizing numerical methods for high-performance computing platforms
• Experience with development of high-performance DFT or quantum chemistry software

What you'll be doing

• Collaborate with internal and external parties on integrating deep learning models into high-performance DFT software frameworks targeting CPU and GPU-based systems
• Prepare and maintain open-source releases and releases for beta testers
• Write custom efficient GPU implementations for deep learning models
• Work cross-functionally with deep learning and quantum chemistry researchers and engineers to align model development strategies with high-performance integration

Perks and benefits

• Competitive base pay: United Kingdom (£74,700 - £122,600), Germany (€90,100 - €152,500), Netherlands (€78,800 - €133,300)
• Eligibility for benefits and other compensation depending on the role and location
• Opportunity to work at Microsoft Research AI for Science, contributing to impactful scientific modeling using deep learning