Modeling and Simulations of Materials

Dr. Qiming Zhang
Physics Department, University of Texas at Arlington

First-principles computational studies are widely used in modeling and simulations of the electronic and magnetic properties of materials. In this talk, I will briefly review the theoretical methodology and present several applications conducted recently in our group. They include searching for low-cost solar-cell materials, studying on the exchanged-coupled nanocomposite permanent magnet materials, and fundamental study on carbon adsorption on transition metal surfaces.