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A Generic Machine Learning Algorithm for the Prediction of Gas Adsorption in Nanoporous Materials

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In the present study, we propose a new set of descriptors, appropriate for Machine Learning (ML) methods, aiming to predict accurately the gas adsorption capacities of nanoporous materials. The pre... Click to show full abstract

In the present study, we propose a new set of descriptors, appropriate for Machine Learning (ML) methods, aiming to predict accurately the gas adsorption capacities of nanoporous materials. The pre...

Keywords: machine learning; gas adsorption; nanoporous materials

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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