The Benedek group uses theory and first-principles calculations to design, predict and understand the structures and properties of functional materials, especially complex oxides. We are particularly interested in understanding and formulating structure-property relationships for fast ionic trans...
The Benedek group uses theory and first-principles calculations to design, predict and understand the structures and properties of functional materials, especially complex oxides. We are particularly interested in understanding and formulating structure-property relationships for fast ionic transport in perovskites and layered perovskites. Another major focus is on using phonon Boltzmann approaches to understand the microscopic mechanisms of thermal transport in perovskites.