About The Position

Microsoft is seeking a Senior Researcher/Engineer to help solve biomolecular function at scale. The team develops AI emulators to model changes in biomolecular structure, complex formation, interactions with drug molecules and nucleic acids, changes over time, and catalysis. Its long-term vision is to simulate molecular processes from the ground up with quantum chemical accuracy and substantially higher throughput than traditional simulation or experimentation. The role is part of a dynamic, interdisciplinary research team and involves developing models and algorithms, as well as helping orchestrate large-scale data-generation campaigns and training runs. The researcher will contribute to an ambitious research agenda in machine learning for the molecular sciences, work closely with an international team toward a shared research goal, and remain committed to a research project that may take several years to complete. The position is open until filled. Applicants should submit a CV that includes publications and other scientific or engineering contributions, such as references to developed software.

Requirements

  • Master's degree in a relevant field and at least 1 year of related research experience; or bachelor's degree in a relevant field and at least 2 years of related research experience; or equivalent experience.
  • Experience in Python software development, including object-oriented design and basic deployment.
  • Experience developing and implementing deep learning systems, such as with PyTorch or JAX, and with agentic software design and testing.
  • Experience modeling or simulating molecules, ideally biomolecules.
  • High-quality publications in leading disciplinary or interdisciplinary venues, or demonstrated leadership in software development.
  • Experience with protein science, bioinformatics, biophysics, or computational chemistry.
  • Understanding of computational statistics and experience developing generative models, such as diffusion or flow models.
  • Experience developing methods for molecular dynamics and statistical mechanics.
  • Track record of developing and optimizing novel deep learning architectures.

Nice To Haves

  • Doctorate in a relevant field; or master's degree in a relevant field and at least 3 years of related research experience; or bachelor's degree in a relevant field and at least 5 years of related research experience; or equivalent experience.
  • Python software development experience demonstrated through published software projects, such as GitHub projects.

Responsibilities

  • Contribute to and drive development of an ambitious, high-impact research agenda in machine learning for the molecular sciences.
  • Develop strategies for integrating large-scale heterogeneous model data from molecular simulations and laboratory experiments, and identify untapped data sources.
  • Write research code to test new approaches and develop novel theoretical and practical insights.
  • Prepare technical papers and presentations.
  • Work day to day with an international, interdisciplinary research team toward an overarching research goal.
  • Commit to a research project that may take several years to come to fruition and prioritize team success over individual research interests.
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