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Senior Software Engineer in Quantum Chemistry - AI for Science

Microsoft is a global technology company whose mission is to empower every person and organization on the planet to achieve more.
Backend
Senior Software Engineer
Hybrid
5,000+ Employees
5+ years of experience
AI · Enterprise SaaS

Description For Senior Software Engineer in Quantum Chemistry - AI for Science

Microsoft Research AI for Science is seeking a talented Senior Software Engineer to join their mission of accelerating scientific discovery through AI. This role focuses on advancing deep-learning-based DFT simulations through state-of-the-art numerical algorithms and GPU acceleration to unlock new frontiers in materials science and catalysis.

The position offers a unique opportunity to work at the intersection of cutting-edge research and real-world deployment, with access to Microsoft's world-class infrastructure. You'll be joining a highly collaborative, interdisciplinary, and diverse global team of researchers and engineers that's redefining what's possible in quantum chemistry.

As a Senior Software Engineer, you'll be responsible for designing and developing high-performance GPU-accelerated DFT simulations, working with deep learning and quantum chemistry researchers, and maintaining open-source releases. The role requires expertise in Python and C++, along with experience in high-performance numerical algorithms.

The position offers comprehensive benefits including industry-leading healthcare, educational resources, parental leave, and generous time away. You'll be working in a hybrid environment with up to 50% work from home flexibility and minimal travel requirements (0-25%).

This is an exceptional opportunity to contribute to groundbreaking research while working for a company that's dedicated to empowering every person and organization on the planet to achieve more. The role combines technical expertise with collaborative teamwork, making it ideal for someone passionate about both scientific computing and practical software engineering.

Last updated 3 days ago

Responsibilities For Senior Software Engineer in Quantum Chemistry - AI for Science

  • Design and develop software for high-performance GPU-accelerated DFT simulations with deep-learning-based density functionals
  • Prepare and maintain open-source releases and releases for beta testers
  • Work cross-functionally with deep learning and quantum chemistry researchers and engineers

Requirements For Senior Software Engineer in Quantum Chemistry - AI for Science

Python
  • MSc or PhD degree in computer science, mathematics, physics, chemistry, or related area, or comparable industry experience
  • Proficiency in collaborative software engineering in Python and in C++ or Fortran
  • Experience with development of high-performance numerical algorithms
  • Ability to work in an interdisciplinary collaborative environment
  • Experience with CUDA programming (preferred)
  • Experience with development of high-performance quantum chemistry software (preferred)
  • Experience with development of open-source libraries (preferred)

Benefits For Senior Software Engineer in Quantum Chemistry - AI for Science

Medical Insurance
Education Budget
Parental Leave
Mental Health Assistance
  • Industry leading healthcare
  • Educational resources
  • Discounts on products and services
  • Savings and investments
  • Maternity and paternity leave
  • Generous time away
  • Giving programs
  • Opportunities to network and connect

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