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

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. 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.

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
• Document methods and results

Requirements

• 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

Qualifications

• Experience with structural biology, 3D ML and biology specific AI models
• Experience with HPC and surrogate modeling
• Familiarity with workflow orchestration tools

Benefits

Brookhaven Laboratory is committed to providing fair, equitable and competitive compensation. The full salary range for this position is $71,900-$119,000 / year. You will be placed at the level and salary commensurate with your experience. Salary offers will be commensurate with the final candidate’s qualification, education and experience and considered with the internal peer group.

Pay

This position is a 2-year term, with the possibility of renewal contingent on performance and funding availability.

Schedule

Brookhaven Laboratory is committed to employee success and we believe that a comprehensive employee benefits program is an important and meaningful part of the compensation employees receive. Review more information at BNL | Benefits Program.