ChemistryMaterials ScienceEngineering

Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks

Benjamin J. Bucior, N. Bobbitt, Timur Islamoglu, S. Goswami, Arun Gopalan, T. Yildirim, O. Farha, N. Bagheri, R. Snurr

2019.2.11Molecular Systems Design & Engineering

DOI: 10.1039/c8me00050f

tlooto Summary

New energy-based descriptor for porous materials predicts hydrogen adsorption using an interpretable regression model.

Abstract

A new, energy-based descriptor for porous materials is highly predictive for hydrogen adsorption using an interpretable regression model.

Citation format

BUCIOR, Benjamin J., et al. Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks. Molecular Systems Design & Engineering, 2019.