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Transferable and Extensible Machine Learning-Derived Atomic Charges for Modeling Hybrid Nanoporous Materials

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Nanoporous materials have attracted significant interest as an emerging platform for adsorption-related applications. The high-throughput computational screening became a standard technique to acce... Click to show full abstract

Nanoporous materials have attracted significant interest as an emerging platform for adsorption-related applications. The high-throughput computational screening became a standard technique to acce...

Keywords: machine learning; materials transferable; nanoporous materials; extensible machine; learning derived; transferable extensible

Journal Title: Chemistry of Materials
Year Published: 2020

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