Data Driven Discovery of MOFs for Hydrogen Gas Adsorption

This data is in accordance with the submitted article to <strong>The Journal of Chemical Theory and Computation. </strong>This article is entitled, “<strong>Data Driven Discovery of MOFs for Hydrogen Gas Adsorption</strong>” by Samrendra K. Singh, Abhishek T. Sose, Fangxi Wang, Karteek K. Bejagam, and Sanket A. Deshmukh; to be published in the special issue on “Machine Learning for Molecular Simulation” in Journal of Chemical Theory and Computation.