This group is a part of the Department of Materials Science and Engineering and Joint Institute of Advanced Materials at the University of Tennessee. We focus on fundamental understanding of structure-property relationships and computational design of materials for various energy applications. We integrate first principles density functional theory, atomistic molecular dynamics, and mesoscale kinetic Monte Carlo simulations. Our current interests include defect interaction and radiation effects in metallic and ceramic materials, deformation mechanism and electronic/magnetic effects on mechanical properties of structural alloys, electromagnetic coupling and flexoelectric effects in complex oxide and oxide superlattices, materials for neuromorphic computing, and mesoscale computational methods, such as the Self-Evolving Atomistic kinetic Monte Carlo.



Our group currently has openings for two postdoc positions and a graduate research assistant position. Please send inquiries, CV or application package to xhx@utk.edu. Please contact Dr. Xu for more information.