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Postdoctoral Research Associate in Materials Theory / NB50648775
Oak Ridge National Laboratory
Oak Ridge National Laboratory

Job Location: Oak Ridge, TN

We are seeking a Postdoctoral Research Associate who will carry out first-principles based Wang-Landau simulations to examine temperature dependent phase transition in oxides. This position resides in the Materials Theory Group in the Materials Science and Technology Division (MSTD), Physical Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL). OVERVIEW: As part of our research team, you will perform first principles predictions of finite temperature behavior of chemically disordered materials. You will be involved in the development of a scalable, efficient, first-principles approach for studying finite-temperature properties by combining the stochastic Wang-Landau method with density functional theory (DFT) energetics. You will have the opportunity to gain experience with performing large-scale simulations on one of the worlds fastest supercomputers at the Oak Ridge Leadership Computing Facility. Emphasis will be placed on chemically disordered materials that undergo unique temperature-dependent phase transitions.

Major Duties/Responsibilities:
Perform first principles and density functional theory calculations Develop first principles based phenomenological models, like the effective Hamiltonian Integrating standard codes like Quantum Espresso and LAMMPS with a Monte Carlo modular code 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 dedication to the implementation and perpetuation of values and ethics

Qualifications Required:
BASIC QUALIFICATIONS: A PhD in computational condensed matter physics, theoretical chemistry, or a related discipline completed within the last five years Experience running DFT codes Experience with C/C++, Fortran, and/or PythonPREFFERED QUALIFICATIONS: Proficient in C/C++, Fortran, and/or Python Experience with parallel computing such as message passing interface (MPI) An excellent record of productive and creative research as 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 Motivated self-starter with the ability to work independently and to participate creatively in collaborative and frequently interacting teams of researchers Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs OTHER INFORMATION: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. Please provide a list of publications when applying for this position. Three letters of reference are required and can be uploaded to your profile or emailed directly to THIS EMAIL . Please include the title of the position in the subject line.

Oak Ridge National Laboratory

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.
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