A new paradigm of material identification based on graph theory

Materials Genome Initiative (MGI) and National Materials Genome Project have been launched by American and Chinese government in the past decade. One of the major goals of these missions is to facilitate the identification of materials data to speed material discovery and development. Current methods are promising candidates to identify structures effectively, but have limited ability to deal with all structures accurately and automatically in the big materials database, because different material resources and various measurement error lead to variation of bond length and bond angle.


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Source: Phys.org