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Postdoctoral Research Associate - Atomic-Scale Simulation

Job in Oak Ridge, Anderson County, Tennessee, 37830, USA
Listing for: Oak Ridge National Laboratory
Full Time position
Listed on 2026-01-01
Job specializations:
  • Research/Development
    Research Scientist
Job Description & How to Apply Below

Requisition Id15656

Overview:

The Geochemistry and Interfacial Sciences Group in the Chemical Sciences Division (CSD) at Oak Ridge National Laboratory (ORNL) invites outstanding applications for a post-doctoral research associate to simulate amorphous materials and crystallization reactions using atomic-scale simulations. As a post-doc, you will utilize high performance computing and rare event methods to work with a team of scientists in CSD to model chemical reactions important to determine the longevity of amorphous materials.

That mechanistic information will be incorporated into process-based models that can describe rates and locales of precipitation.

Major Duties/Responsibilities
  • Conduct independent research using atomic-scale simulation with rare event methods to understand hydroxylation and carbonation reactions in aqueous solutions, amorphous materials and at mineral-water interfaces.
  • Collaborate with ORNL researchers on the design and execution of experiments to measure crystallization reactions.
  • Present and report research results and publish scientific findings in peer-reviewed journals in a timely manner.
  • Ensure compliance with environmental, safety, health and quality program requirements.
  • Maintain strong commitment to the implementation and perpetuation of values and ethics.
  • 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 Physical Sciences, such as Geochemistry, Chemistry, Geology, Materials Science, or related disciplines completed within the last 5 years.
  • Strong background in atomic-scale simulation.
Preferred Qualifications
  • Experience using CMD, AIMD, DFTB, MD with rare event methods (meta dynamics, umbrella sampling, replica exchange, etc.).
  • Experience with simulating reactions, such as ligand exchanges and crystallization reactions, in aqueous solutions and at solid-water interfaces.
  • Excellent record of productive and creative research demonstrated by publications in peer-reviewed journals.
  • 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.

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.

Reference Letters

Please submit three letters of reference when applying for this position. You can upload these directly to your application or have them sent to topostdocrecruitment with the position title and number referenced in the subject line.

Security, Credentialing, and Eligibility Requirements
  • This position requires the ability to obtain and maintain an HSPD-12 PIV badge.
  • For employment at Oak Ridge National Laboratory (ORNL), a Real  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.
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, ensuring ORNL is known as a top choice for employment.

These principles are essential for supporting our broader mission to drive scientific…

Position Requirements
10+ Years work experience
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