Mostofi Group

Spotlight

• 

  Computation of optical absorption spectra of molecular crystals: the case of the polymorphs of ROY

  Molecular crystals have applications in organic LEDs, lasers, and solar cells, and optical absorption is among their most important properties. In this work, we present a ‘crystal spectral warping’ method that allows the accurate and efficient prediction of optical absorption spectra of molecular crystals. Read more...