リチウム導電体探索におけるデータ科学活用の実際

抄録

In materials chemistry, technology related to data science methods is attracting attention because of their high potential. In this review, we introduce the examples of material search for lithium-ion conductors from classical methods to the use of materials informatics, including our practical examples. Appling informatics technology such as the recommender system, the novel approaches in the composition-based material search were examined. Although some novel materials were discovered, high ionic conducting properties (e.g., σ > 10⁻⁴ S cm⁻¹) were not confirmed. As a result, in the case of lithium-ion conducting crystalline materials, dramatic improvements in material search efficiency have not been achieved even if the most advanced methods have been applied so far. Therefore, it is necessary to establish a novel approach for material search by combining the various techniques from classical to advanced methods, including the experimental, theoretical calculation, and informatics approaches.