Supplementary Data for "Computational Investigation of the Impact of Metal-Organic Framework Topology on Hydrogen Storage Capacity"

This dataset includes the structure files of the hypothetical structures and building blocks, molecular simulation input and force field parameters, the dataset with structural composition, textural properties, GCMC results, and additional data analysis figures that correspond with work in "Computational Investigation of the Impact of Metal-Organic Framework Topology on Hydrogen Storage Capacity" (DOI: tbd).