Ontology highlight
ABSTRACT:
SUBMITTER: Yeo BC
PROVIDER: S-EPMC6458116 | biostudies-literature | 2019 Apr
REPOSITORIES: biostudies-literature
Yeo Byung Chul BC Kim Donghun D Kim Chansoo C Han Sang Soo SS
Scientific reports 20190410 1
Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain the DOS despite the considerable computation cost. Herein, we report a fast machine learning method for predicting the DOS patterns of not only bulk structures but also surface structures in multi-component alloy systems by a principal component analysis. Withi ...[more]