Browsing by Author "Dalkılıç, Mehmet M."
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Rapidly predicting Kohn–Sham total energy using data-centric AI
Kurban, Hasan; Kurban, Mustafa; Dalkılıç, Mehmet M. (Nature Research, 2022)Predicting material properties by solving the Kohn-Sham (KS) equation, which is the basis of modern computational approaches to electronic structures, has provided significant improvements in materials sciences. Despite ...