Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. - John Buckeridge; David O. Scanlon; Aron Walsh; C. Richard A. Catlow (Comput. Phys. Commun., 2014)

sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations. - Alex M. Ganose; Adam J. Jackson; David O. Scanlon (J. Open Source Softw., 2018)

Galore: Broadening and weighting for simulation of photoelectron spectroscopy. - Adam J. Jackson; Alex M. Ganose; Anna Regoutz; Russel G. Egdell; David O. Scanlon (J. Open Source Softw., 2018)

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

ShakeNBreak: Navigating the defect configurational landscape. - Irea Mosquera-Lois; Seán R. Kavanagh; Aron Walsh; David O. Scanlon (J. Open Source Softw., 2022)

py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations. - Alexander G. Squires; David O. Scanlon; Benjamin J. Morgan (J. Open Source Softw., 2023)

ThermoParser: Streamlined Analysis of Thermoelectric Properties. - Kieran B. Spooner; Maud Einhorn; Daniel W. Davies; David O. Scanlon (J. Open Source Softw., 2024)

easyunfold: A Python package for unfolding electronic band structures. - Bonan Zhu; Seán R. Kavanagh; David O. Scanlon (J. Open Source Softw., 2024)

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)