Karlsruher Institut für Technologie (KIT)
The field of materials science is expanding rapidly with new materials and applications, and data science tools are now available to aid in the selection and prediction of properties for specific applications. Among these tools, social network analysis (SNA) has been widely used to represent data as a graph of connected objects in various scientific fields. This study focuses on applying a graph theory approach to analyze metal-organic frameworks (MOFs) using SNA methods. By creating a galaxy of MOFs and conducting community detection, SNA can predict MOF properties more accurately than conventional machine learning methods. The study shows that SNA is particularly useful in predicting gas storage properties, one of MOF's most popular applications.
Abstract
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