Postdoctoral Research Associate- Materials Theory
Date: Mar 19, 2026
Location: Oak Ridge, TN, US, 37830
Company: Oak Ridge National Laboratory
Requisition Id 16127
Overview:
We are seeking a Postdoctoral Research Associate who will develop and apply electronic structure theory approaches to examine the fundamental properties of a range of advanced materials. Research efforts will include the application of density functional theory packages and in-house codes, and the development of supplemental numerical tools, to describe competing structural phases and the vibrational and electronic structure in materials with defects and disorder. This effort will further seek to implement strategies to leverage machine learning techniques to accelerate the design and discovery of novel materials.
The Materials Theory Group has a background in using first principles methods to examine electronic and thermal transport, magnetic properties of advanced materials, thermoelectrics, functional oxides and weakly bonded materials. The incumbent will have opportunities to develop research methodologies as well as collaborate with experimental groups at Oak Ridge National Laboratory (ORNL). This position resides in the Materials Theory Group in the Materials Science and Technology Division (MSTD), Physical Sciences Directorate (PSD) at ORNL.
Major Duties/Responsibilities:
- Develop and use first principles methods to describe phase stability, magnetic structure, phonons, and electrons in the presence of defects and disorder
- Develop and use AI/ML approaches to understand, design and discover novel condensed-phase materials
- Responsible for presenting and reporting key research results and publishing scientific results in peer-reviewed journals in a timely manner
- Maintain strong commitment to the implementation and perpetuation of ORNL core values and ethics
Basic Qualifications:
- A PhD related to computational or theoretical physics, chemistry, materials science, or other closely related field completed within the last 5 years
- Experience with density functional theory methods including electronic and phonon band structure calculations using Quantum Espresso, VASP, or similar packages
Preferred Qualifications:
- Demonstrated success in applying AI/ML to materials science problems
- An excellent record of productive and creative research demonstrated by publications in peer-reviewed journals
- Excellent written and oral communication skills and the ability to communicate in English to an international scientific audience
- Scientifically curious, self-motivated, and ability to participate creatively in a collaborative team environment
- Demonstrated experience with electronic structure methods for description of materials properties
- 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:
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:
Please submit three letters of reference when applying for this position. 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
Security, Credentialing, and Eligibility 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.
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 breakthroughs and translate them into solutions for energy, environmental, and security challenges facing the nation.
ORNL offers competitive pay and benefits programs to attract and retain individuals who demonstrate exceptional work behaviors. The laboratory provides a range of employee benefits, including medical and retirement plans and flexible work hours, to support the well-being of you and your family. Employee amenities such as on-site fitness, banking, and cafeteria facilities are also available for added convenience.
Other benefits include the following: Prescription Drug Plan, Dental Plan, Vision Plan, 401(k) Retirement Plan, Contributory Pension Plan, Life Insurance, Disability Benefits, Generous Vacation and Holidays, Parental Leave, Legal Insurance with Identity Theft Protection, Employee Assistance Plan, Flexible Spending Accounts, Health Savings Accounts, Wellness Programs, Educational Assistance, Relocation Assistance, and Employee Discounts.
If you have difficulty using the online application system or need an accommodation to apply due to a disability, please email: ORNLRecruiting@ornl.gov.
This position will remain open for a minimum of 5 days after which it will close when a qualified candidate is identified and/or hired.
We accept Word (.doc, .docx), Adobe (unsecured .pdf), Rich Text Format (.rtf), and HTML (.htm, .html) up to 5MB in size. Resumes from third party vendors will not be accepted; these resumes will be deleted and the candidates submitted will not be considered for employment.
ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply. UT-Battelle is an E-Verify employer.
Nearest Major Market: Knoxville