In a screening framework, a tradeoff between accuracy and computational cost is necessary and we think that the cDFT framework presented here is an interesting option with a small loss of accuracy and a significant decrease in computational cost. A first preselection could be performed with cDFT and a refined estimation of adsorption properties could be made subsequently with GCMC. However, to study specific adsorption mechanisms of an adsorbate in a porous material (e.g., ), GCMC simulations would remain the preferable option as cDFT lacks the resolution to study these mechanisms.