Postdoctoral Research Associate
Brookhaven National Laboratory
About the Role
Brookhaven National Laboratory’s National Synchrotron Light Source II (NSLS-II) seeks a Postdoctoral Research Associate for AI-driven Structure Analysis for Biological Discoveries for an on-site position in the Biological, Environmental and Planetary Science Division. This role will enable new discoveries in protein function, ligand binding, and dynamics through scalable computational analysis. The ideal candidate would have a background and an interest in Computational Biology, Artificial Intelligence, and Machine Learning.
Key Responsibilities
- Develop workflows to improve models and maps to optimize likelihood for ligand placement.
- Develop AI/ML methods for automated interpretation of crystallography data for optimal ligand placement.
- Build and curate training datasets linking electron density maps and structural models.
- Design and evaluate AI models for 3D structural data.
- Develop workflows for time-resolved crystallography data processing.
- Integrate molecular dynamics with AI/ML methods.
- Benchmark protein foundation model performance and integrate them with experimental analysis pipelines.
- Work collaboratively with domain scientists, beamline scientists, and computational scientists.
- Document methods and results.
Requirements & Tech Stack
- Ph.D. in computer science, computational biology, physics, or related field.
- Expertise in machine learning or AI.
- Experience with molecular dynamics simulations and computational workflows.
- Ability to work in teams.
- Demonstrated track record of publications in the field.
- Demonstrated commitment to working safely, acting ethically, and taking personal accountability for operational excellence.
Preferred Qualifications
- Experience with structural biology, 3D ML, and biology-specific AI models.
- Experience with HPC and surrogate modeling.
- Familiarity with workflow orchestration tools.
Additional Information
- This position is a 2-year term, with the possibility of renewal contingent on performance and funding availability.
- Salary range: $75,000 - $95,000 / year.
- Candidates must have completed all degree requirements by the commencement of employment.
- Postdoctoral and R&D experience limit: A combined total of 5 years post-Ph.D. in relevant work experience is permitted, excluding specific life events.