Table 1. MOFF-GA results for ZBP.

Averaged statistic of 1000 GA runs for the functional group optimization of ZBP for different properties. The percentages under the Structures sampled column are a fraction of the total number of sterically viable structures (96,156).

Property optimized	Best-find rate (%)	Rank of best	Number of top 50	Structures sampled	Functional groups of best
CO2 uptake at 0.15 atm CO2 and 298 K	81	1.6	20.9	1069 (1.1%)	HCO, H, HCO, CH=CH2
Volumetric surface area	68	1.9	19.8	1263 (1.31%)	H,H, OPr, H
Parasitic energy	67	2.5	14.7	1519 (1.6%)	NO2, H, OH, HCO