Surfaxe: Systematic surface calculations. - Katarina Brlec; Daniel W. Davies; David O. Scanlon (J. Open Source Softw., 2021)

doped: Python toolkit for robust and repeatable charged defect supercell calculations. - Seán R. Kavanagh; Alexander G. Squires; Adair Nicolson; Irea Mosquera-Lois; Alex M. Ganose; Bonan Zhu; Katarina Brlec; Aron Walsh; David O. Scanlon (J. Open Source Softw., 2024)