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

Location: On-site in Upton, New York, United States

Salary: $71,900–$119,000 per year, commensurate with qualifications and experience

Company

hirify.global is a multidisciplinary U.S. Department of Energy research laboratory focused on discovery science and transformative technology.

What you will do

• Develop AI/ML methods and computational workflows for automated interpretation of crystallography data and optimized ligand placement.
• Build and curate training datasets linking electron-density maps with structural models.
• Design, evaluate, and benchmark AI models for 3D structural data, including protein foundation models.
• Develop processing workflows for time-resolved crystallography data and integrate molecular dynamics with AI/ML methods.
• Integrate experimental analysis pipelines with large-scale research facility computing resources.
• Collaborate with domain, beamline, and computational scientists while documenting methods and results.

Requirements

• Ph.D. in computer science, computational biology, physics, or a related field, with all degree requirements completed by the start date.
• Expertise in machine learning or AI.
• Experience with molecular dynamics simulations and computational workflows.
• Demonstrated publication record in the field and ability to work collaboratively.
• Ability to work on-site in Upton, New York, and obtain and maintain a DOE Uncleared Personal Identity Verification credential.
• Postdoctoral and/or R&D experience after the Ph.D. must not exceed a combined five years, subject to stated exclusions.

Nice to have

• Experience with structural biology, 3D ML, and biology-specific AI models.
• Experience with high-performance computing and surrogate modeling.
• Familiarity with workflow orchestration tools.

Culture & Benefits

• Two-year appointment with possible renewal based on performance and funding.
• Comprehensive employee benefits program.
• Collaborative research environment spanning macromolecular crystallography beamlines and computational science.
• Commitment to integrity, responsibility, innovation, respect, teamwork, safety, and ethical conduct.
• REAL ID-compliant identification is required for laboratory site access, including interviews.