Research Associate

Brookhaven National Laboratory • Upton, NY

37d • Onsite

About The Position

The National Synchrotron Light Source II at Brookhaven National Laboratory seeks a highly motivated and innovative Postdoctoral Research Associate to join the Spectroscopy Program. The successful candidate will contribute to an advanced Laboratory Directed Research and Development (LDRD) project, “Machine Learning Steered EXAFS Fitting for Autonomous XAS Analysis,” aimed at revolutionizing real-time analysis of X-ray Absorption Spectroscopy (XAS) data. Position Description Working at the Inner Shell Spectroscopy (ISS) and Quick Absorption and Scattering (QAS) beamline, which provides intense hard X-rays for probing structure and reactivity across diverse materials, such as catalysts, quantum materials, energy storage systems, and superconductors, you will develop and deploy cutting-edge AI/ML algorithms for real-time Extended X-ray Absorption Fine Structure (EXAFS) analysis. This project is central to advancing autonomous experimental capabilities at NSLS-II, enhancing the speed, accuracy, and impact of in-situ and operando XAS experiments.

Requirements

• Ph.D. in Physics, Materials Science, Chemistry, or a related field.
• Demonstrated strong background in machine learning, data analysis, and software development using python.
• Proven track record of peer-reviewed publications.
• Excellent communication skills and a collaborative, team-oriented mindset.

Nice To Haves

• Hands-on experience performing FEFF calculations and data preprocessing for machine learning applications.
• Practical experience developing and training models using PyTorch, TensorFlow or Scikit-learn.
• Experience working in high-performance computing environments, including data-intensive simulations or model training.
• Familiarity with in-situ and operando experimental design, particularly in synchrotron-based spectroscopy.
• Experience applying machine learning methods to scientific data analysis or materials characterization problems.
• Proven research record involving X-ray Absorption Spectroscopy or related structural characterization techniques, demonstrated through peer-reviewed publications.

Responsibilities

• Develop and optimize AI/ML models (e.g., random forest, autoencoder, transformers, mixture-of-experts frameworks) for automated EXAFS data interpretation.
• Generate, curate, and augment training datasets using FEFF-based simulations and experimental data.
• Conduct beamline experiments to validate model predictions and integrate them into real-time analysis workflows as extension to current beamline data analysis routine.
• Collaborate closely with beamline scientists, computational researchers, chemist and multi-institutional users to implement ML-assisted XAS pipelines.
• Present findings at national and international conferences and publish in high-impact scientific journals.
• Communicate research progress, challenges, and achievements, and engage within and beyond the department to explore new potential collaborations.

Benefits

• Brookhaven National Laboratory is committed to providing fair, equitable and competitive compensation.
• The full salary range for this position is $71,900.00 - $88,000.00 / year.
• Salary offers will be commensurate with the final candidate’s qualification, education and experience and considered with the internal peer group.
• Brookhaven National 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

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree