The Fluid Interface Reactions, Structure and Transport (FIRST) Energy Frontier Research Center (EFRC) at Oak Ridge National Laboratory is seeking a post-doctoral research associate to work on first principles molecular dynamics calculations of the properties the recently discovered layered MXenes, with an emphasis on the fluid-solid interface for supercapacitor applications. The research will be conducted in strong collaboration with Dr. Paul Kent, as well as other members of the FIRST Center in which experimental studies are integrated with theory, modeling, and simulation. This project will primarily utilize density functional based molecular dynamics, but connections with reactive and classical molecular dynamics will be pursued, particularly for comparison with the structural, electrochemical, and spectroscopic measurements conducted by FIRST Center partners. The expected outcome of this research is an improved conceptual understanding and quantitative models with particular application to energy storage and conversion.

Essential Qualifications:

• A PhD in theoretical physics, chemistry, materials science, or a related field completed within the last 5 years

• Demonstrated experience in first-principles calculations such as density functional theory or quantum chemistry.

Preferred Qualifications:

• Experience with interfacial systems, fluids, or layered nanomaterials

• Familiarity with energy storage materials and calculations of their properties

• Demonstrated experience in classical molecular dynamics • Capability to integrate numerous computational approaches in research

• An excellent record of productive and creative research demonstrated by publications in peer-reviewed journals

• Be a self-starter, able to work independently, and able to participate creatively in refining research directions

• Excellent written and oral communication skills and the ability to communicate in English to an international scientific audience

• Motivated and safety conscious

Applications can be made via the jobs.ornl.gov site (position NB50587109, "First Principles Molecular Dynamics Studies of Energy Storage"), or via the direct link http://bit.ly/2bHRW6C