Senior Software Engineer, AI for Science
Microsoft
Overview
As a Research Software Engineer, you will integrate deep learning models into high-performance DFT software to enable accurate, scalable electronic-structure predictions. You will collaborate with ML and quantum chemistry researchers to optimize CPU and GPU workflows and contribute to open-source releases. The role combines model integration, numerical methods, and software infrastructure to bring ML-powered DFT into real scientific workflows. This position offers a chance to impact materials science and chemistry at scale within a collaborative research environment.
Responsibilities- Integrate deep learning models into high-performance DFT software frameworks on CPU and GPU
- Prepare and maintain open-source releases and beta releases
- Develop custom efficient GPU implementations for ML models
- Collaborate cross-functionally with ML and quantum chemistry researchers and engineers to align development with scalable integration
- MSc in computer science, mathematics, physics, chemistry, or related area
- Proficiency in Python and C++ or Fortran
- Experience with maintenance of open-source libraries or commercial software
- Understanding of CPU and GPU compute architectures
- Experience with agentic software development
- Ability to communicate technical concepts to non-experts in interdisciplinary settings
- Strong collaboration across cross-functional teams
- Effective communication of complex ideas to diverse audiences
- Adaptability in interdisciplinary environments
- CUDA/Triton programming
- Development and optimization of numerical methods for HPC
- Experience with high-performance DFT or quantum chemistry software
Reference: WJ-747_31227435