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)

Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy. - John Buckeridge (Comput. Phys. Commun., 2019)