Solid-State Theory

Image showing a roughly spherical red shape that looks like an apple that is floating within a yellow hemispherical shell. The shell is floating over a square below that shows an orange ring pattern bordered by yellow, then light blue, then darker blue.

Square of the wave function (red) of a hole state in a spherical CdSe colloidal quantum dot (shape in yellow).

The main research activities of the Solid-State Theory team within NREL's Theoretical Materials Science Group include the following:

  • Theory of photovoltaic semiconductors
  • Statistical and electronic theory of metal and semiconductor alloys
  • Semiconductor nanostructures
  • Inverse design of materials
  • Computational methods in first-principles theories.

This team provides the main theoretical thrust in the Center for Inverse Design, which is an Energy Frontier Research Center of the Office of Basic Energy Sciences. This center focuses on material discovery by inverting the question "What are the properties of a given material?" into "Which materials realize a given desired property?"

For staff profiles, publications, and contact information, see the Chemical and Materials Science staff page.