Record link: 
http://hdl.handle.net/20.500.12708/140763
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Title: 
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
en
Citation: 
Borlido, P., Schmidt, J., Huran, A. W., Tran, F., Marques, M. A. L., & Botti, S. (2020). Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning. Npj Computational Materials, 6(96). https://doi.org/10.1038/s41524-020-00360-0
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Publisher DOI: 
10.1038/s41524-020-00360-0
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Publication Type: 
Artikel - Original Research Article
de
 
Article - Original Research Article
en
Language: 
English
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Authors: 
Borlido, Pedro 
Schmidt, Jonathan 
Huran, Ahmad W. 
Tran, Fabien 
Marques, Miguel A. L. 
Botti, Silvana 
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Organisational Unit: 
E165-03 - Forschungsbereich Theoretische Chemie 
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Journal: 
npj Computational Materials 
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ISSN: 
2057-3960
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Date (published): 
2020
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Number of Pages: 
17
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Peer reviewed: 
Yes
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Keywords: 
Computer Science Applications; Modeling and Simulation; Mechanics of Materials; General Materials Science
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Research Areas: 
Computational Materials Science: 40%
Quantum Modelling and Simulation: 20%
Materials Characterization: 40%
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Science Branch: 
Chemie
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