For CH 4 , the MARD has a median of 3.9 % and is below 16 % for all materials, which can be regarded as an almost perfect agreement. As the methods of GCMC and cDFT are intrinsically different, small inherent deviations always occur. CH 4 is the case where the underlying molecular model in GCMC and cDFT exhibit the closest agreement because, in both models, CH 4 is described as a single Lennard-Jones site without Coulombic interactions. We provide a reference point for the order of magnitude of the MARD between cDFT and GCMC: Gowers et al. compare the adsorption isotherms predicted by five implementations of GCMC (Cassandra , DL Monte , MuSiC , RASPA , and Towhee ) and show that in the case where no electrostatic interactions are considered, the MARD between the implementations is on average of 3.1 %, and can be up to 5.2 %.