Comparison study of exchange-correlation functionals on prediction of ground states and structural properties
Author:
Funder
National Research Foundation of Korea
Publisher
Elsevier BV
Subject
General Physics and Astronomy,General Materials Science
Reference46 articles.
1. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
2. Opportunities and challenges for first-principles materials design and applications to Li battery materials
3. Screening for high-performance piezoelectrics using high-throughput density functional theory
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