<p>Metal-organic frameworks (MOFs) are a promising class of materials that can be used as a catalyst for photo-hydrogenation to convert CO2 to fuel by virtue to their nanoscale design featuring high surface area, abundant active metal sites, and ability to host dispersed co-catalysts. However due to the vast combination of materials possible and general fragility of MOFs, experimental identification of catalytic material is non-trivial. To aid in finding optimal catalytic candidates, we implement a multi-tiered high-throughput screening of 20,375 in silico MOFs for their porosity (≥4.5Å), light adsorption (1.7-3.5 eV), aqueous stability, and solvent removal stability. The 24 passing materials were evaluated by density functional theory (DFT) using proton-coupled electron transfer pathway for CO2 to CH4. Of the eight thermodynamically favorable materials, three materials have been previously synthesized and the material precursors were analyzed for their material cost and life-cycle analysis showing Mg-MOF-74 with the lowest material cost ($15.11 per gram) and environmental impact. The five experimentally-novel materials using aluminum and zinc-based frameworks with pore diameters ranging from 4.7 to 21.6 Å, are presented for novel experimental realization.</p>