Sohrab Ismail-Beigi


Our group uses first principles computational methods to attack topical and fundamental questions in condensed materials theory and materials physics. Present topics of interest include:

  • Semiconductor-oxide interfaces: growth strategies and resulting structures, electronic/chemical/mechanical properties, engineering interfaces for desired technological applications
  • Understanding and controlling chemistry and catalysis at transition metal oxide surfaces and interfaces
  • (Transition metal) oxide-oxide interfaces: electronic and atomic reconstructions
  • Electronic, mechanical, and structural properites of nanomaterials: nanotubes, nanowires, 2D systems, and clusters (carbon, GaN, boron and metal borides, etc.)
  • Development of improved exchange and correlation models for complex oxides
  • Optical properties of nanostructures, molecules, and defects in solids
  • Photo-induced structural change in nanostructures, molecules, and defects in solids

You can find more details of our research group regarding:

  • Research activities
  • Publications
  • Honors and Awards

by visiting the Ismail-Beigi research group website