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Filtering by: Keyword density functional theory calculation

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