Oak Ridge National Laboratory - Oak Ridge, TN
posted 5 months ago
We are seeking a Postdoctoral Research Associate who will develop and apply computational methods based on electronic structure theory approaches with emphasis on vibrational and thermal properties of a range of materials, including chiral insulators and magnets. Research efforts may include application of density functional theory (e.g. QE, VASP) and Boltzmann transport (e.g. ShengBTE, phono3py) packages to describe anharmonic properties of materials, including scattering spectra and thermal conductivity, as well as the development of supplemental numerical tools. 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, defects and disorder, 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.