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Postdoctoral Research Associate - AI-driven Structure Analysis for Biological Discoveries

Brookhaven National Laboratory

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Hours
Full time
Where
Upton, NY
Posted
Aug 17

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.

Advance the frontiers of structural biology by developing AI-driven methods for interpreting complex crystallographic data. 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.

Join a team of scientists at the leading macromolecular crystallography beamlines and at the computing center and contribute to science projects at the interface between AI method development and large-scale research facilities.

What you'd do

  • 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.

What they want

  • 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.

About Brookhaven National Laboratory

Brookhaven National Laboratory (www.bnl.gov) delivers discovery science and transformative technology to power and secure the nation’s future. Brookhaven Lab is a multidisciplinary laboratory with seven Nobel Prize-winning discoveries, 37 R&D 100 Awards, and more than 70 years of pioneering research. The Lab is primarily supported by the U.S. Department of Energy’s (DOE) Office of Science. Brookhaven Science Associates (BSA) operates and manages the Laboratory for DOE.

Starts
2026-08-06