Prof. Banjo Semire | Computational Chemistry | Distinguished Scientist Award

Professor | Ladoke Akintola University of Technology | Nigeria

Prof. Semire Banjo is an accomplished computational and theoretical chemist whose research focuses on density functional theory (DFT), molecular modeling, QSAR, docking studies, and the rational design of functional materials and bioactive compounds. His work spans applications in dye-sensitized solar cells, corrosion inhibition, pharmaceutical chemistry, and biomolecular interactions, with strong integration of quantum chemical methods to predict structure–property relationships. He has authored 79 documents indexed in Scopus, receiving 804 citations with an h-index of 15, and has accumulated 1,322 citations on Google Scholar with an h-index of 19 and i10-index of 42, reflecting the broad impact and sustained relevance of his research contributions.

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Citations
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Featured Publications

Computational Design and Optimization of Anthracene-Based Dyes for High-Efficiency Dye-Sensitized Solar Cells

– Journal of Computational Biophysics and Chemistry, 2026

Molecular Modeling and Pharmacokinetics Studies of Sulfamidophosphonate Derivatives Against Staphylococcus aureus

– Ecletica Química, 2025

Molecular modeling and pharmacokinetics studies of sulfamidophosphonate derivatives as potential candidate against Staphylococcus aureus

– Ecletica QuimicaThis ,2025

Computational Screening of Nigerian Medicinal Plant Phytochemicals Against Sickle Cell Disease

– Scientific Reports, 2024

Molecular Design and Optoelectronic Investigation of Phenothiazine D-A-π-A Dye Sensitizers for Solar Cells

– Physical Chemistry Research, 2024

Dr. Zahra Mongashti | Computational Chemistry | Research Excellence Award

Master | Yasuj University | Iran

Dr. Zahra Mongashti is a physical chemistry researcher with expertise in computational and theoretical chemistry, focusing on electrochemistry, thermodynamic parameters, density function analysis, deformation density, and molecular confinement. Their work explores host–guest interactions, charge transfer processes, molecular encapsulation, and adsorption phenomena, employing advanced computational tools such as Gaussian, GaussView, AIM2000, Densitizer, and Origin. Notable studies include analyses of chlorinated hydrocarbons within C60 fullerene, lithium–oxygen interactions, halozhenal quinone thermodynamics, and methane–C60 interactions. They have published multiple theoretical studies, contributing to SCOPUS with 2 documents, reflecting emerging yet impactful research in molecular modeling.

Citation Metrics (Scopus)

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