Through the constrained NSGA and process models, we ultimately identify 380 optimal MOFs with CO2/N2 selectivity over 80, featuring no zero-linkers and no nitrogen or phosphorus containing linkers. Out of them, 23 belong to the small-pore MOFs, and the remaining are largepore MOFs. From the small-pore MOFs, 4 materials meet purity-recovery constraints, while 355 large-pore MOFs meet these constraints. Figure shows the productivity-energy Pareto clouds of these MOFs, compared to those of the 13X zeolites by Cleeton et al. , based on the adsorption isotherms from NIST / APRA-E database . As illustrated in Figure , the process performance of most of these MOFs surpasses that of the 13X zeolites. Again, this performance also surpasses that of computationally designed ion-exchange LTA zeolites from our previous publication (see SI). An interesting question is how predictions in Figure compare with the performance of CALF-20, the only MOF material that managed to reach industrial pilot-scale studies for carbon capture .