Research Associate

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. Essential Duties and

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.

Required Knowledge,

Skills:

, and Abilities: 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. Preferred Knowledge,

Skills:

, and Abilities: 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. Other Information: Appointment Term: 2 years.

On-site at Brookhaven National Laboratory, Upton, NY. Candidates must have received a Ph.D. by the commencement of employment. BNL policy requires that after obtaining their PhD, eligible candidates for research associate appointments may not exceed a combined total of 5 years of relevant work

experience:

as a post-doc and/or in an R&D position, excluding time associated with family planning, military service, illness or other life-changing events. Why Join Us? This position offers an exceptional

opportunity:

to contribute to the future of autonomous materials characterization. The project’s outcomes will directly enhance the efficiency of XAS experiments at NSLS-II and pave the way for AI-integrated beamline operations, impacting a broad user community spanning energy materials, catalysis, and quantum research.

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.

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Us 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. BSA is a partnership between Battelle and The Research Foundation for the State University of New York on behalf of Stony Brook University.

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skills:

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Opportunity:

/Affirmative Action Employer Guided by our core values of integrity, responsibility, innovation, respect, and teamwork, Brookhaven Science Associates is an Equal Employment

Opportunity:

Employer-Vets/Disabled. We are committed to fostering a respectful and collaborative environment that fuels scientific discovery. We consider all qualified applicants without regard to any characteristic protected by law. All qualified individuals are encouraged to apply. We ensure that individuals with disabilities are provided reasonable accommodation to participate in the job application or interview process, to perform essential job functions, and to receive other

benefits:

and privileges of employment. Please contact us to request accommodation. *VEVRAA Federal Contractor BSA employees are subject to restrictions related to participation in Foreign Government Talent Recruitment Programs, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation at the time of hire for review by Brookhaven.

The full text of the Order may be found at: https://www.directives.doe.gov/directives-documents/400-series/0486.1-BOrder-a/@@images/file Welcome. If you are looking for your next career move—to a place where your

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and strengths contribute to groundbreaking discovery and innovation—Brookhaven National Laboratory may be where you belong. Here you can explore open positions and apply to the ones that suit you, your

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, and strengths. You can also keep track of your progress in the selection process and new postings that might interest you. Thanks for your interest in joining the Brookhaven Lab team. At Brookhaven Lab, everyone has a role in discovery science and transformative technology that's helping power and secure the nation’s future.

We are home to world-class scientists, engineers, technicians, and other professionals as well as unique facilities that attract thousands of researchers annually from across the country and around the globe. Our track record includes seven Nobel Prize-winning discoveries, 37 R&D 100 Awards (the "Oscars of Innovation"), and countless other advances.