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Oak Ridge National Laboratory

Postdoctoral Research Associate in Computational Materials Science and Molten Salt Chemistry Oak Ridge National Laboratory in United States

Degree Level

Postdoc

Field of study

Computer Science

Funding

Postdoctoral appointment up to 24 months with potential for extension, subject to performance and availability of funding. ORNL offers competitive pay and benefits; relocation assistance and standard employee benefits are mentioned, but no stipend amount is given.

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Country

United States

University

Oak Ridge National Laboratory

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Keywords

Computer Science
Chemistry
Electrical Engineering
Chemical Engineering
Materials Science
Fusion Energy
Statistical Mechanics
High Performance Computing
Physics
Computational Materials Science

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About this position

Oak Ridge National Laboratory (ORNL) is recruiting a Postdoctoral Research Associate in computational materials science, with a scientific focus on the chemical and physical properties of molten salt liquids relevant to fission and fusion reactors.

The project centers on the speciation and transport of tritium in molten salt blankets using ab initio quantum simulations, machine learning potentials, and statistical mechanical theory. The role is embedded in the National Center for Computational Sciences and the Computing and Computational Sciences Directorate, with collaboration across ORNL and external fusion efforts encouraged.

Applicants should hold a PhD in Computational Chemistry, Physics, Chemical Engineering, Materials Science and Engineering, or a related field, completed within the last five years. Required experience includes theoretical/computational quantum simulations of materials or chemical physics methods, especially ab initio and AI-driven simulation methods, plus statistical mechanics for analyzing simulation results. Preferred skills include VASP or CP2K, FORTRAN/C/C++/Python, MPI/OpenACC/OpenMP, heterogeneous programming, and debugging/profiling massively parallel codes.

The appointment is up to 24 months with possible extension, depending on performance and funding availability. ORNL notes competitive pay and benefits, but no specific stipend amount is listed. The position is located in Oak Ridge, Tennessee, United States.

To apply, use the ORNL jobs portal and submit the required materials. Three letters of reference are requested; they may be uploaded directly or emailed to the ORNL recruiting addresses provided in the post. The position remains open for at least five days and closes when a qualified candidate is identified and/or hired.

Funding details

Postdoctoral appointment up to 24 months with potential for extension, subject to performance and availability of funding. ORNL offers competitive pay and benefits; relocation assistance and standard employee benefits are mentioned, but no stipend amount is given.

What's required

A PhD in Computational Chemistry, Physics, Chemical Engineering, Materials Science and Engineering, or a related field completed within the last 5 years. Applicants must have experience in theoretical and computational quantum simulations of materials or chemical physics methods, especially ab initio and AI-driven simulation methods, plus statistical mechanical theory for analyzing simulation results. Basic understanding of parallel application development techniques is required. Preferred experience includes VASP or CP2K on massively parallel architectures, scientific programming in FORTRAN, C, C++, or Python, parallel programming with MPI/OpenACC/OpenMP, heterogeneous programming, and debugging/profiling massively parallel codes. Applicants must complete all degree requirements before starting.

How to apply

Apply through the ORNL jobs portal using the provided job link. Submit three letters of reference with the application or have them emailed to [email protected] / [email protected] with the position title and number in the subject line. Upload documents to your candidate profile after logging in.

More information can be found here

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