The NSGA produces a Pareto front of MOFs with low N2 uptake and high CO2 uptake. These materials are investigated in PSA process simulations, for which we employ the models developed by Yancy-Caballero et al. . This evaluation mainly takes into account the shape of adsorption isotherms and operational parameters. The evaluation of materials at the process level is a twostage process. Firstly, we identify all the materials that are able to reach 90% of purity of the produced CO2 with 90% recovery. Secondly, the materials that pass this threshold are evaluated in terms of the energy penalty and productivity of the process. These two properties form a Pareto front, and comparing two materials involves comparing their respective fronts to each other.