Transferable and Extensible Machine Learning-Derived Atomic Charges for Modeling Hybrid Nanoporous Materials
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DOI: 10.1021/acs.chemmater.0c02468
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... read more here.
Keywords: machine learning; materials transferable; nanoporous materials; extensible machine ... See more keywords