Yazar "Kurban, Hasan" için listeleme
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Building Machine Learning systems for multi-atoms structures: CH3NH3PbI3 perovskite nanoparticles
Kurban, Hasan; Kurban, Mustafa (Elsevier, 2021)In this study, we built a variety of Machine Learning (ML) systems over 23 different sizes of CH3NH3PbI3 perovskite nanoparticles (NPs) to predict the atoms in the NPs from their geometric locations. Our findings show that ... -
A DFT Study on Stability and Electronic Structure of Aln Nanotubes
Muz, İskender; Kurban, Hasan; Kurban, Mustafa (Elsevier, 2021)Structural, energetic, electronic, reactivity and stability properties of armchair (3,3), (4,4), (5,5), (6,6), (7,7), (8,8), (9,9) and (10,10) aluminum nitride nanotubes (AlNNTs) with different diameter have been probed ... -
Effect of Mg Content on Electronic Structure, Optical and Structural Properties of Amorphous Zno Nanoparticles: A DFTB Study
Kurban, Hasan; Alaei, Sholeh; Kurban, Mustafa (Elsevier, 2021)In this work, we perform a theoretical analysis of structural, electronic, and optical properties of pure and Mg-doped amorphous ZnO nanoparticles (a-ZnO NPs) using DFTB method. Our results show that Zn atoms are more ... -
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 ... -
Rare-Class Learning Over Mg-Doped Zno Nanoparticles
Kurban, Hasan; Kurban, Mustafa (Elsevier B.V., 2021)This interdisciplinary study is conducted to find answers to two important questions which researchers often face in Machine Learning (ML) and Material Science (MS) fields. In this work, we measure the performance of the ... -
Tailoring the structural properties and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles: DFTB calculations
Kurban, Hasan; Dalkılıç, Mehmet; Temiz, Selçuk; Kurban, Mustafa (Elsevier B.V., 2020)In this study, we perform a theoretical investigation using the density functional tight-binding (DFTB) approach for the structural analysis and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles ...
