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Filtering by: Keyword density functional theory calculation Language English Publisher AIP Publishing

1. Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides

Description/Abstract:: Discovery of new compounds from wide chemical space is attractive for materials researchers. However, theoretical prediction and validati...
Keyword:: materials search, materials informatics, and density functional theory calculation
Material/Specimen:: nitrides
Resource Type:: Article
Author:: KOYAMA, Yukinori, SEKO, Atsuto, TANAKA, Isao, FUNAHASHI, Shiro, and HIROSAKI, Naoto
Journal:: The Journal of Chemical Physics
Date Uploaded:: 15/06/2021
Date Modified:: 24/06/2022