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Rapidly predicting Kohn–Sham total energy using data-centric AI
Hasan Kurban
*
, Mustafa Kurban
, Mehmet M. Dalkilic
*
Corresponding author for this work
San Jose State University
Indiana University Bloomington
Kırşehir Ahi Evran University
Research output
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Contribution to journal
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Article
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peer-review
18
Citations (Scopus)
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Material Science
Energy Levels
100%
Materials Property
50%
Nanoparticle
100%
Titanium Oxide
50%
Chemistry
Electronic State
100%
Nanoparticle
100%
Titanium Dioxide
50%
Titanium Oxide
50%
Keyphrases
Data-centric AI
100%
DFTB Method
50%
Kohn-Sham Equation
50%
Number of Atoms
50%
Mathematics
Electronic State
100%
Energy Levels
100%
Computer Science
Electronic State
100%
Agricultural and Biological Sciences
Titanium Dioxide
50%