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Postdoctoral Research Associate- Atomistic Simulation and Data Science Approaches

Oak Ridge National Laboratory
Oak Ridge, United Statesfull_timeVerifiedPosted 19 Feb 2026

About the role

Requisition Id 15997 

­­Overview:  

We are seeking a postdoctoral researcher who will focus on atomistic simulation and data science approaches. This position resides in the Chemical Transformations Section, Chemical Sciences Division, Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL).  

 

Major Duties/Responsibilities: 

  • Conduct atomistic simulations to contribute to multi-disciplinary projects relevant to catalysis and critical materials.
  • Contribute to methods development and integrate data science to accelerate simulations, analyze large datasets, and extract properties.
  • Work in multi-disciplinary teams, deliver manuscript first-drafts, mentor visiting students as opportunity arises.
  • Deliver ORNL’s mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service. Promote equal opportunity by fostering a respectful workplace – in how we treat one another, work together, and measure success.

 

Basic Qualifications:

  • A PhD in Computational/theoretical chemistry and/or physics, chemical engineering, materials or a closely related field completed within the last 5 years.

 

Preferred Qualifications:

  • Experience with coding, electronic structure and statistical mechanics codes, and data science tools would be highly desirable
  • Excellent written and oral communication skills.
  • Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams across the laboratory.
  • Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs.

 

Special Requirements: 

For employment at Oak Ridge National Laboratory (ORNL), a Real ID compliant form of identification will be required.  Additionally, ORNL is subject to Department of Energy (DOE) access restrictions. All employees must also be able to obtain and maintain a federal Personal Identity Verification (PIV) card as mandated by Homeland Security Presidential Directive 12 (HSPD-12) and Department of Energy (DOE) Order 473.1A, which requires a favorable post-employment background investigation.

To obtain this credential, new employees must successfully complete and pass a Federal Tier 1 background check investigation.  This investigation includes a declaration of illegal drug activities, including use, supply, possession, or manufacture within the last year.  This includes marijuana and cannabis derivatives, which are still considered illegal under federal law, regardless of state laws.

For foreign national candidates:
If you have not resided in the U.S. for three consecutive years, you are not eligible for the PIV credential and instead will need to obtain a favorable Local Site Specific Only (LSSO) risk determination to maintain employment.  Once you meet the three-year residency requirement, you will be required to obtain a PIV credential to maintain employment.

 

Postdocs:

Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and availability of funding.

 

Letters of Recommendation:

A minimum of 3 references is required You can upload these directly to your application or have them sent to postdocrecruitment@ornl.gov with the position title and number referenced in the subject line.

 

Instructions to upload documents to your candidate profile:

  • Login to your account via jobs.ornl.gov
  • View Profile
  • Under the My Documents section, select Add a Document

About ORNL:

As a U.S. Department of Energy (DOE) Office of Science national laboratory, ORNL has an impressive 80-year legacy of addressing the nation’s most pressing challenges. Our team is made up of over 7,000 dedicated and innovative individuals! Our goal is to create an environment where a variety of perspectives and backgrounds are valued

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Oak Ridge National Laboratory

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