Center for Inverse Design
The Center for Inverse Design is an Energy Frontier Research Center of the U.S. Department of Energy Office of Science. To address a crucial scientific grand challenge, the Center is pursuing a new approach to material science. As shown in the figure below, rather than using the conventional direct approach ("Given the structure, find the electronic properties"), we are using a "materials by inverse design" approach ("Given the desired property, find the structure").
The target properties of interest include general semiconductor optical and electrical properties; the desired materials functionalities include electron- and hole-conductive transparent conductors, solar absorbers, and nanostructures for energy sustainability. Our predictions of materials are examined iteratively by various synthetic approaches, including high-throughput parallel materials science.