Note that this places an explicit constraint on any possible anchor set: The composition matrix N A must be invertible. This method of referencing DFT energies to a set of anchor species with their DFT values is commonly used. It is suitable for investigating a catalyst for a specific process , it can be used to screen across the material space , coverage effects on the thermophysical parameters can be included , it has been combined with uncertainty quantification , and it has also been applied to investigate electrocatalytic systems 158 . Since the method is identical to the elemental chemical potentials, it is also possible to directly combine it with the CHE model to calculate free energies at applied potentials 159 . This method is also the default for calculating ∆ A H in the open-source CatMap 160 software package, although the notation and nomenclature used in the CatMap package and manuscript are different from the more consistent ones used in this work.