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High-throughput electronic band structure calculations: Challenges and tools

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Year: 2010
Type: article
Source: Computational Materials Science
DOI: 10.1016/j.commatsci.2010.05.010
Authors: Wahyu Setyawan, Stefano Curtarolo
Institution: Duke University
Language: English

Topic: Machine Learning in Materials Science
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences

Open Access status: green

Funders: National Science Foundation, Weizmann Institute of Science, Office of Naval Research, Division of Materials Research
Awards: Materials World Network: First-Principles-Based, Large-Scale Modeling of Nanostructural Evolution Binary Alloys, G4399802812, G6391240694, G6641583165, G8679105871, CAREER: Genetic Approaches to Quantum Mechanics Predictions of Materials Structures
OpenAlex ID: W2950873748
FWCI: 8.956
Cites: 62
Cited by: 1,709
Related to: 10
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