Senior Research Software Engineer, AI for Science

11/29/2025

Collaborate with internal and external parties to integrate deep learning models into high-performance DFT software frameworks. Prepare and maintain open-source releases and write custom efficient GPU implementations for deep learning models.

Working Hours

40 hours/week

Company Size

10,001+ employees

Language

English

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About The Company

Every company has a mission. What's ours? To empower every person and every organization to achieve more. We believe technology can and should be a force for good and that meaningful innovation contributes to a brighter world in the future and today. Our culture doesn’t just encourage curiosity; it embraces it. Each day we make progress together by showing up as our authentic selves. We show up with a learn-it-all mentality. We show up cheering on others, knowing their success doesn't diminish our own. We show up every day open to learning our own biases, changing our behavior, and inviting in differences. Because impact matters. Microsoft operates in 190 countries and is made up of approximately 228,000 passionate employees worldwide.

About the Role

Collaborate with internal and external parties on integrating our deep learning models in high performance DFT software frameworks, targeting both CPU and GPU-based frameworks Prepare and maintain open-source releases and releases for beta testers Write custom efficient GPU implementations for our deep learning models Work cross-functionally with deep learning and quantum chemistry researchers and engineers to align model development strategies with high-performance integration into CPU and GPU-based DFT software frameworks. 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. Ability to work in an interdisciplinary collaborative environment, through effective communication of technical concepts to non-experts from different technical backgrounds PhD degree in computer science, mathematics, physics, chemistry, or a related area or comparable industry experience Experience with CUDA programming. Experience with developing and optimizing numerical methods for high-performance computing platforms. Experience with development of high-performance DFT or quantum chemistry software.

Key Skills

Deep LearningHigh Performance ComputingPythonC++FortranOpen-Source SoftwareCUDA ProgrammingNumerical MethodsQuantum ChemistryDFT SoftwareInterdisciplinary CollaborationTechnical Communication