hashemifar@iut.ac.ir Google Scholar Office Department of Physics, Isfahan University of Technology Phone 0098-31-3391-3732 Fax 0098-31-3391-2376 Positions Professor of Condensed Matter Physics Research Interests Computational Material Science Artificial Intelligence for Materials Science Defect in Semiconductors More ArticlesJournal Papers Title DOI type Adsorption behavior of hydrogen sulfide in the channels of Li-ABW zeolite: A study using density functional theory 10.1016/j.jmgm.2024.108765 Journal First-principles calculations of the structural and optoelectronic properties of honeycomb borophene: strain and many-body effects 10.1140/epjp/s13360-024-05166-3 Journal Driven charge density modulation by spin density wave and their coexistence interplay in SmFeAsO: A first-principles study 10.1016/j.physb.2023.415603 Journal Statistical analysis of the performance of a variety of first-principles schemes for accurate prediction of binary semiconductor band gaps 10.1063/5.0138775 Journal Role of the band-gap parameter in the characterization of Landau levels in a gapped-phase semi-Dirac system: Monolayer phosphorene 10.1103/PhysRevB.107.125417 Journal Novel first-principles insights into graphene fluorination 10.1063/5.0091279 Journal Prediction of novel two-dimensional Dirac nodal line semimetals in Al<sub>2</sub>B<sub>2</sub> and AlB<sub>4</sub> monolayers 10.1039/D2NR00888B Journal Decrypting the photocatalytic bacterial inactivation of hierarchical flower-like Bi2WO6 microspheres induced by surface properties: Experimental studies and ab initio calculations 10.1016/j.cej.2021.131768 Journal First-Principles Investigation of CH4 Adsorption on a Singly and Doubly Decorated (8,0) Single Wall Carbon Nanotube With Palladium/Oxygen Species 10.1109/ACCESS.2021.3107844 Journal Ab initio calculation of structural, electronic, and optical properties of TlxGa1-xAs ternary alloys 10.1016/j.cocom.2020.e00505 Journal
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