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Research Associate - Post Doc

Brookhaven Lab

Job Description

Brookhaven National Laboratory ( 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. BSA salutes our veterans and active military members with careers that leverage the skills and unique experience they gained while serving our country. Our organization fully supports service members transitioning from active duty to civilian life and pledge’s our commitment to actively hire veterans of the U.S. Armed Forces. Military personnel who have been formally trained or have relevant experience obtained while in service may meet educational requirements and are encouraged to apply for job opportunities at BSA.

Organizational Overview

The mission of the Chemistry Division is to conduct basic and applied chemical research with an emphasis on new energy conversion pathways. Primary research subjects include catalysis and electrocatalysis for sustainable fuel synthesis and use, solar energy conversion to fuels, fundamental gas and condensed phase molecular dynamics, radiation chemistry, and advanced chemical separations for energy applications. The Catalysis Reactivity and Structure group is part of the BNL catalysis science program, which advances fundamental understanding of sustainable fuel and chemical synthesis pathways, please visit the group website:

Position Description

The Catalysis Reactivity and Structure group at Chemistry Division has an opening for a research associate position in computational catalysis. The research focuses on heterogeneous catalysis for fuel synthesis and conversion by elucidating catalytic properties of multifunctional catalysts with a current emphasis on catalysis for C1 chemistry such as conversion of carbon dioxide or methane. The theoretical studies for this position involve understanding of reaction mechanisms and active sites for complex catalysis under reaction conditions, often in close coordination with experimental observations, and providing guidance for rational catalyst optimization. The work will be under supervision of Dr. Ping Liu.

Essential Duties and Responsibilities:

  • Provide mechanistic understanding to the catalytic behaviors observed under reaction conditions and optimize the catalytic performances at a theoretical level.
  • Develop and coordinate collaborative research with experimental collaborators.
  • Prepare and write manuscripts for publications in scientific journals and present research results in scientific conferences and DOE program review meetings.

Position Requirements

Required Knowledge, Skills, and Abilities:

  • PhD degree in physics, physical chemistry, chemical engineering, or closely related fields
  • Strong background in heterogeneous catalysis
  • Experience in applying electronic structure theory, Transition State Theory (TST), microkinetic modeling or Kinetic Monte Carlo (KMC) methods in catalysis and machine learning methods

Preferred Knowledge, Skills, and Abilities:

  • Electronic structure simulation of complex catalysts (metal/metal compound surfaces and nanostructures) and kinetic modeling of catalytic performances under reaction conditions
  • Extraction of design principles using methods, e.g. derivative-based analysis, or machine-learning based tools


  • Initial 2-year term appointment subject to renewal contingent on performance and funding.

At Brookhaven National Laboratory we believe that a comprehensive employee benefits program is an important and meaningful part of the compensation employees receive. Our benefits program includes, but is not limited to:

  • Medical, Dental, and Vision Care Plans
  • Flexible Spending Accounts
  • Paid Time-off and Leave Programs (vacation, holidays, sick leave, paid parental leave)
  • 401(k) Plan
  • Flexible Work Arrangements
  • Tuition Assistance, Training and Professional Development Programs
  • Employee Fitness/Wellness & Recreation:  Gym/Basketball Courts, Weight Room, Fitness Classes, Indoor Pool, Tennis Courts, Sports Clubs/Activities (Basketball, Ping Pong, Softball, Tennis)

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.

Brookhaven National Laboratory and the Energy and Photon Sciences Directorate are committed to your success. We offer a supportive work environment and the resources necessary for you to succeed.

Brookhaven Science Associates requires proof of a COVID-19 vaccination for all employees. Proof of full vaccination as recognized by the CDC and/or WHO, inclusive of the two-week waiting period, is required at the start of your employment.

Brookhaven National Laboratory (BNL) is an equal opportunity employer that values inclusion and diversity at our Lab. We are committed to ensuring that all qualified applicants receive consideration for employment and will not be discriminated against on the basis of race, color, religion, sex, sexual orientation, gender identity, national origin, age, status as a veteran, disability or any other federal, state or local protected class.

BNL takes affirmative action in support of its policy and to advance in employment individuals who are minorities, women, protected veterans, and individuals with disabilities. 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

Brookhaven 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:

*Please mention you saw this ad on AcademicJobs.*

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