Supplementary material for "Unlocking Hydrogen’s Potential: Prediction of Adsorption in Metal-Organic Frameworks for Sustainable Energy Storage"

<p>The data that support the findings of the article "Unlocking Hydrogen’s Potential: Prediction of Adsorption in Metal-Organic Frameworks for Sustainable Energy Storage". The dataset includes all adsorption data obtained from GCMC simulations and from classical DFT calculations ("data") for each investigated porous material. Furthermore, the dataset contains the CIF files of [Zn(bdc)ted]0.5, MOF-5, CuBTC, and ZIF-8. Force field and input files for RASPA-code are given in the folder "raspa_files". All data can be presented in a jupyter notebook.</p>

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