Nanoporous Materials Adsorption Energy (NMAE) Database

The NMAE Database contains data for:

The data is stored in form of JSON files (see JSON schema nmae.json for a description of the JSON entries).

A zip archive with 15,535 JSON files can be download here: nmae_data.zip

[Last updated: 9/30/2019]

The development of the Nanoporous Materials Adsorption Energy Database is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-17ER16362: Predictive Hierarchical Modeling of Chemical Separations and Transformations in Functional Nanoporous Materials: Synergy of Electronic Structure Theory, Molecular Simulations, Machine Learning, and Experiment – A Computational Chemical Sciences Center.