Data and code for "Single-Atom Dopants in Plasmonic Nanocatalysts"

The data includes atomic structures, photoabsorption spectra, densities of states, and hot-carrier distributions of the systems modeled in the article "Single-Atom Dopants in Plasmonic Nanocatalysts" by Daniel Sorvisto et al. The input scripts for reproducing the data are also included. See README.md in the archive for a detailed description.