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Persistent URL http://purl.org/net/epubs/work/56988738
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Record Id 56988738
Title Automatic Prediction of Band Gaps of Inorganic Materials Using a Gradient Boosted and Statistical Feature Selection Workflow
Contributors
Abstract
Organisation ISIS , ISIS , STFC
Keywords DFT calculations , materials , elements , redox reactions , chemical composition
Funding Information RAENG (RCSRF1819\7\10); RAL; ISIS Neutron and Muon Source
Related Research Object(s):
Licence Information: Creative Commons Attribution 4.0 International (CC BY 4.0)
Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article J Chem Inf Model 64, no. 4 (2024): 1187-1200. doi:10.1021/acs.jcim.3c01897 2024