Google Scholar Menu Items Research /en/hashemifar/content/research Journal publications /en/hashemifar/content/1597964 Conference contributions /en/hashemifar/content/1597965 Courses Students /en/faculty/students/687 Conferences /fa/hashemifar/content/%25D9%2587%25D9%2585%25D8%25A7%25DB%258C%25D8%25B4 useful links /fa/hashemifar/content/%25D9%25BE%25DB%258C%25D9%2588%25D9%2586%25D8%25AF%25D9%2587%25D8%25A7%25DB%258C-%25D9%2585%25D9%2581%25DB%258C%25D8%25AF test Research Interests First Principles Material Science Artificial Intelligence for Materials Science Defect in Semiconductors Positions Professor of Condensed Matter Physics Head of Physics Departments Office Department of Physics, Isfahan University of Technology Phone 0098-31-3391-3732 type: Journal Title Conference / Journal Date Influence of Bi doping on electronic structure and optical behavior of congruent LiNbO3: Insights from density functional theory COMPUTATIONAL MATERIALS SCIENCE 2025-10 Computational discovery of 2D aluminium and gallium sulfides PHYSICAL REVIEW MATERIALS 2025-10 Prediction of novel gallium-sulfur compositions under pressure PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2025-07 Investigating the influence of vacancy and rhodium doping on nickel-based single-atom catalysts for methane dehydrogenation: A Br?nsted-Evans-Polanyi analysis via density functional theory Computational and Theoretical Chemistry 2025-07 Effects of scandium doping on the oxygen diffusion barrier in monoclinic ZrO2 solid electrolyte: A density functional theory approach COMPUTATIONAL MATERIALS SCIENCE 2025-05 DFT study of (6,0) boron nitride nanotube as a drug delivery system for 5-fluorouracil and hydroxyurea European Physical Journal Plus 2025-04 First-principles insights into tegafur to 5-FU conversion driven by H+ ion in the presence of Na+, K+ ions, and water molecule JOURNAL OF MOLECULAR LIQUIDS 2025-04 First-principles calculations of the structural and optoelectronic properties of honeycomb borophene: strain and many-body effects European Physical Journal Plus 2024-04 Adsorption behavior of hydrogen sulfide in the channels of Li-ABW zeolite: A study using density functional theory JOURNAL OF MOLECULAR GRAPHICS and MODELLING 2024-04 Driven charge density modulation by spin density wave and their coexistence interplay in SmFeAsO: A first-principles study 2024-02
