In this section, we present a succinct overview of the computational procedure to calculate the adsorbate molecule loading within a porous material using cDFT. We emphasize key advancements that broaden the scope of the cDFT framework used here , specifically its applicability to 1) solids featuring non-orthorhombic unit cells and 2) adsorbate molecules that exhibit strong Coulombic interactions with the material. We also detail how we incorporate enthalpies of adsorption calculations.