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Materials Theory Beyond Density Functional Theory - Senior R&D Staff

Date: Jul 17, 2021

Location: Oak Ridge, TN, US, 37831

Company: Oak Ridge National Laboratory

Requisition Id 4453 


We are seeking a Senior R&D Staff who will focus on electronic structure calculations beyond density functional theory, including Quantum Monte Carlo (QMC), Dynamical Mean Field Theory (DMFT), or related calculations of materials and materials properties of interest to the U.S. Department of Energy (DOE) .  This position resides in the Materials Theory Group in the Materials Theory, Modeling and Simulations Section, Materials Science and Technology Division, Physical Sciences Directorate at Oak Ridge National Laboratory (ORNL). 


As part of our research team, and as an established leader in the beyond-DFT field you will provide and advance capabilities that describe materials of interest to DOE, including magnetic, superconducting, charge-ordered, insulating, and related quantum materials. You will lead multidisciplinary collaborations, including the superb experimental resources of the Laboratory, to pursue cutting-edge science leading to high-profile publications. You will leverage the exascale computing resources of the Laboratory, will present at high-visibility international conferences, and will be compensated appropriately. Candidates with QMC expertise are especially encouraged to apply.


Major Duties/Responsibilities:

  • Provide and advance theoretical beyond-DFT methods for a fundamental description of ground and excited-state properties in materials of interest to DOE, with a focus on quantum-materials and related materials
  • Integrate work with experimental groups within ORNL as well as link to other experimental groups around the world
  • Present and report research results and publish scientific results in peer-reviewed journals in a timely manner
  • Ensure compliance with environment, safety, health and quality program requirements
  • Maintain strong commitment to the implementation and perpetuation of values and ethics


Basic Qualifications:

  • A Ph.D in chemistry, physics, materials science, or a related discipline with a minimum of 10 years of experience
  • Experience developing and/or applying beyond DFT ab initio approaches to successfully describe materials of interest.
  • Experience in beyond-DFT approaches with a demonstrated ability working with experimental groups


Preferred Qualifications:

  • Experience mentoring junior scientists (students, postdocs, junior staff scientists)
  • 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

Three letters of reference are required and can be uploaded to your profile or emailed directly to  Please include the position title and number in the subject line.


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.

If you have trouble applying for a position, please email

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