What then are the practical implications of these observations for HTCS of materials for CO2 capture? At this point it is important to recognise that the correlations between rankings are in some cases much greater than zero, i.e., between UFF+DDEC and Dreiding+DDEC. This suggests that HTCS retains its utility as a guided search platform even in the presence of considerable uncertainties. Indeed, Chung et al. and Boyd et al. have demonstrated this to good effect as studies which have experimentally verified the structures predicted by HTCS workflows. However, in light of our results, the preliminary conclusion of this section is that it is very likely that two separate studies utilising different levels of molecular theory will still come to different conclusions on what the top performing material candidates are. The picture that is emerging from the process-level results cannot be complete without a complementary understanding of the adsorption behaviours. Our objective in the next section is to therefore understand the nature of the disagreement between FFs at the material level. This will provide us with the molecular insights needed to reason why such differences in process performances arise.