Mr. Zahid Ullah | Best Researcher Award

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Mr. Zahid Ullah | Best Researcher Award

Islamia College University Peshawar | Pakistan 

Dr. Zahid Ullah is a computational materials scientist currently serving as a Scholar at Qurtuba University of Science and Information Technology, Peshawar, and pursuing his PhD in Physics at Islamia College Peshawar. With an h‑index of 12, over 1,100 citations, and multiple high-impact publications, he has established a strong presence in theoretical and computational condensed matter physics. His research focuses on first-principles calculations, employing density functional theory (DFT) and WIEN2k/CASTEP computational frameworks to investigate the structural, electronic, thermoelectric, and magnetic properties of materials such as spinels (MgGa₂O₄, ZnAl₂O₄) and ternary tellurides (KAlTe₂, KInTe₂). He has contributed significantly to understanding energy‑conversion materials, magnetic semiconductors, and thermoelectric performance, guiding experimental and theoretical developments for sustainable energy solutions and advanced electronic/spintronic applications. Notable publications include studies on high-temperature thermoelectric performance of MgGa₂O₄ and the electronic and magnetic characteristics of KAlTe₂ and KInTe₂. His work integrates materials informatics with computational modeling to predict and optimize material behaviors. Dr. Ullah’s ongoing research aims to design next-generation functional materials, and he is recognized for his early-career contributions to computational materials science. His efforts provide critical insights that bridge fundamental physics with practical applications in energy, electronics, and spintronics.

Profiles : Orcid | Google Scholar

Featured Publications

Ullah, Z., Khan, R., Khan, M. A., Al Otaibi, S., Althubeiti, K., & Abdullaev, S. (2025). High-temperature thermoelectric performance of spinel MgGa2O4 through a first-principles and Boltzmann transport study. Computational Materials Science, 259, 114163. https://doi.org/10.1016/j.commatsci.2025.114163

Ullah, Z., Amir, M., Bazilla, A., Ullah, S., Shahzad, U., Ullah, N., Khan, J., & Gul, S. (2024). Electronic, thermoelectric and magnetic properties of ternary telluride KAlTe2 and KInTe2 from theoretical perspective. Next Research, 1(2), 100077. https://doi.org/10.1016/j.nexres.2024.100077

Khan, M. A., & Ullah, Z. (2025). First-principles study of electronic, structural, and thermoelectric nature. Theoretical Chemistry Accounts, 144(8), 61. https://doi.org/10.1007/s00214-025-03000-0

Ullah, Z., Khan, M. A., Gul, S., Noman, M., Ullah, S., & Shahab, M. (2025). Remarkable thermoelectric and magnetic properties of anti-perovskite MgCNi3: A pathway to advanced energy conversion and spintronics. Journal of Superconductivity and Novel Magnetism, 38(4), 167. https://doi.org/10.1007/s10948-025-08800-5

Ullah, Z., & Khan, M. A. (2025). First-principles study of ZnAl2O4 for energy applications. International Journal of Modern Physics B, 2550270. https://doi.org/10.1142/S0217979225502704

Dr. Vivek Kumar | Best Researcher Award

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Dr. Vivek Kumar | Best Researcher Award

Indian Institute of Technology Mandi | India

Dr. Vivek Kumar is a physicist at the Indian Institute of Technology (IIT) Mandi, School of Physical Sciences, where he earned his Ph.D. in Physics. His research focuses on quantum materials, quantum spin liquids, Raman spectroscopy, and density functional theory (DFT). Dr. Kumar has made significant contributions to understanding phonon dynamics, fractional spin fluctuations, and quantum liquid behavior in low-dimensional magnetic and topological systems. His notable publications include works in Physical Review B, 2D Materials, Annalen der Physik, and Physica Status Solidi (RRL), exploring complex phenomena such as electron-phonon coupling, Mott transitions, and the interplay of topology with magnetism in van der Waals materials. He has authored 6 research documents, which have collectively garnered 33 citations from 28 sources, reflecting the growing recognition of his contributions within the condensed matter physics community. With an h-index of 4, Dr. Kumar continues to advance the understanding of correlated quantum systems through both experimental Raman studies and first-principles simulations. His research excellence underscores the pursuit of novel states of matter in two-dimensional materials, offering promising directions for future quantum technologies and materials innovation.

Profiles : Google Scholar | Orcid | Scopus

Featured Publications

Kumar, D., Kumar, V., Kumar, R., Kumar, M., & Kumar, P. (2022). Electron-phonon coupling, thermal expansion coefficient, resonance effect, and phonon dynamics in high-quality CVD-grown monolayer and bilayer MoSe₂. Physical Review B, 105(8), 085419. https://doi.org/10.1103/PhysRevB.105.085419

Kumar, V., Kumar, D., Singh, B., Shemerliuk, Y., Behnami, M., Büchner, B., Aswartham, S., & Kumar, P. (2023). Fluctuating fractionalized spins in quasi-two-dimensional magnetic V₀.₈₅PS₃. Physical Review B, 107(9), 094417. https://doi.org/10.1103/PhysRevB.107.094417

Singh, B., Kumar, D., Kumar, V., Vogl, M., Wurmehl, S., Aswartham, S., Büchner, B., & Kumar, P. (2021). Fractional spin fluctuations and quantum liquid signature in Gd₂ZnIrO₆. Physical Review B, 104(13), 134402. https://doi.org/10.1103/PhysRevB.104.134402

Khan, N., Kumar, D., Kumar, V., Shemerliuk, Y., Selter, S., Büchner, B., Pal, K., Aswartham, S., & Kumar, P. (2024). The interplay of topology and antiferromagnetic order in two-dimensional van der Waals crystals of (NiₓFe₁₋ₓ)₂P₂S₆. 2D Materials, 11(3), 035018. https://doi.org/10.1088/2053-1583/ad3e0a

Kumar, V., Shemerliuk, Y., Behnami, M., Büchner, B., Aswartham, S., & Kumar, P. (2025). Dynamics of phonons and magnetic continuum in thin flakes of V(1−X)PS₃. Physical Review Materials, 9(7), 076201. https://doi.org/10.1103/pb66-73sc

Assist. Prof. Dr. Fikadu Geldasa | Best Researcher Award

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Assist. Prof. Dr. Fikadu Geldasa | Best Researcher Award

Walter Sisulu University | South Africa

Dr. Fikadu Takele Geldasa is an Assistant Professor of Physics at Walter Sisulu University, South Africa, and Oda Bultum University, Ethiopia. He has published 19 Scopus-indexed research papers, received more than 323 citations, and holds an h-index of 6. He obtained his Ph.D. in Materials Physics from Adama Science and Technology University. His research focuses on experimental and computational studies of functional nanomaterials using density functional theory (DFT) and materials characterization techniques. Dr. Geldasa works on the structural, electronic, and optical properties of doped metal oxides, perovskites, and semiconductor materials for applications in photocatalysis, energy conversion, and environmental remediation. His recent works on doped TiO₂ and α-NiS nanostructures provide insights into bandgap engineering and defect tuning for enhanced visible-light photocatalytic activity. He has published his research in leading journals such as Scientific Reports, Nanomaterials, Materials, and Physica Scripta. His interdisciplinary research integrates theory and experiment to develop advanced materials for renewable energy and sustainable technology. Through his scientific contributions, Dr. Geldasa is establishing himself as a promising researcher in materials physics and computational materials science, contributing significantly to the progress of clean energy and environmental technologies.

Profiles : Scopus | Orcid | Research Gate | Google Scholar

Featured Publications

Geldasa, F. T., Dejene, F. B., Kebede, M. A., Hone, F. G., & Jira, E. T. (2025). Density functional theory study of chlorine, fluorine, nitrogen, and sulfur doped rutile TiO₂ for photocatalytic application. Scientific Reports, 15(1), 3390. https://doi.org/10.1038/s41598-024-84316-0

Geldasa, F. T., & Dejene, F. B. (2025). Transition metal doping effects on the structural, mechanical, electronic, and optical properties of α-NiS for photocatalysis applications via DFT + U insights. Applied Physics A. https://doi.org/10.1007/s00339-025-08942-9

Geldasa, F. T., & Dejene, F. B. (2025). First principles investigation of niobium and carbon-doped titanium dioxide for enhanced visible light photocatalytic activity. ChemistrySelect. https://doi.org/10.1002/slct.202504529

Geldasa, F. T., & Dejene, F. B. (2025). Exploration of vanadium and rhenium co-doped TiO₂ for enhanced photocatalytic performance via first principle density functional theory investigation. Physica Scripta. https://doi.org/10.1088/1402-4896/adf156

Geldasa, F. T., & Dejene, F. B. (2025). Density functional theory based exploration of structural, electronic, mechanical, thermodynamic, and optical properties of α-NiS for CO₂ adsorption. Journal of Physics: Condensed Matter. https://doi.org/10.1088/1361-648X/aded5f

Assist. Prof. Dr. Akeem Adewale | Best Researcher Award

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Assist. Prof. Dr. Akeem Adewale | Best Researcher Award

Ladoke Akintola University of Technology Ogbomoso | Nigeria

Dr. Akeem Adekunle Adewale is a distinguished materials physicist and Senior Lecturer in the Department of Pure and Applied Physics at Ladoke Akintola University of Technology, Ogbomoso, Nigeria. He earned his Ph.D. in Materials Engineering from Universiti Malaysia Perlis, Malaysia, following his M.Sc. and B.Sc. degrees in Physics from the University of Ilorin, Nigeria. With a prolific academic career, Dr. Adewale has authored 25 scientific documents, accumulated over 201 citations, and achieved an h-index of 9. His research focuses on computational materials science, density functional theory (DFT), nanotechnology, and optoelectronic and thermoelectric materials modeling. Dr. Adewale’s studies have significantly contributed to understanding the structural, electronic, optical, and thermoelectric properties of advanced materials such as perovskites, semiconductors, and nanocomposites. His works have been published in reputed journals including Materials Today Communications, Heliyon, Physica Scripta, and Computational Condensed Matter. Prior to his current role, he served as a Lecturer in Physics and Materials Science at Kwara State University, Nigeria. Dr. Adewale continues to advance frontiers in materials modeling for renewable energy and semiconductor technologies. His outstanding contributions to materials research position him as a leading scholar in the field of computational materials science.

Profiles : Scopus | Google Scholar | Research Gate | Orcid

Featured Publications

Adewale, A. A., Chik, A., Adam, T., Yusuff, O. K., Ayinde, S. A., & Sanusi, Y. K. (2021). First principles calculations of structural, electronic, mechanical and thermoelectric properties of cubic ATiO3 (A= Be, Mg, Ca, Sr and Ba) perovskite oxide. Computational Condensed Matter, 28, e00562.

Adewale, A. A., Chik, A., Adam, T., Joshua, T. M., & Durowoju, M. O. (2021). Optoelectronic behavior of ZnS compound and its alloy: A first principle approach. Materials Today Communications, 27, 102077.

Olatomiwa, A. L., Adam, T., Edet, C. O., Adewale, A. A., Chik, A., Mohammed, M., Gopinath, S. C. B., & Hashim, U. (2023). Recent advances in density functional theory approach for optoelectronics properties of graphene. Heliyon, 9(3), e14279.

Sholagberu, A. A., Yahya, W. A., & Adewale, A. A. (2022). Pressure effects on the opto-electronic and mechanical properties of the double perovskite Cs₂AgInCl₆. Physica Scripta, 97(8), 085824.

Adewale, A. A., Chik, A., Zaki, R. M., Che Pa, F., Keat, Y. C., & Jamil, N. H. (2018). Thermoelectric transport properties of SrTiO₃ doped with Pm. Solid State Phenomena, 280, 3–8.

Yahya, W., Yahaya, A. A., Adewale, A. A., Sholagberu, A. A., & Olasunkanmi, N. K. (2023). A DFT study of optoelectronic, elastic and thermo-electric properties of the double perovskites Rb₂SeX₆ (X=Br, Cl). Journal of the Nigerian Society of Physical Sciences, 1418–1418.

Assoc. Prof. Dr. Xiaoping Yi | Best Researcher Award

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Assoc. Prof. Dr. Xiaoping Yi | Best Researcher Award

University of Science and Technology Beijing | China

Dr. Xiaoping Yi is a materials scientist specializing in first-principles calculations and molecular dynamics of lithium batteries and solid electrolytes, with strong experience in both simulation and experimental design. She earned her PhD in Chemistry from the University of Science and Technology Beijing (2018–2023) and also conducted research at the University of Birmingham, UK, focusing on novel inorganic solid electrolytes, polymer electrolyte design, and silicon-based anodes. After completing her doctorate, she joined the Institute of Physics at the Chinese Academy of Sciences as a postdoctoral researcher (2023–2025), and in 2025 she became Associate Professor at the University of Science and Technology Beijing. Her research interests include nanomaterials design, solid-state lithium/sodium ion batteries, interface electrochemistry, catalytic mechanisms, synchrotron spectroscopy, electron microscopy, and computational materials science. She has published over 25 peer-reviewed SCI articles in high-impact journals (e.g. Advanced Energy Materials, Energy Storage Materials), and her work is recognized for integrating theory and experiment to address performance and safety trade-offs in all-solid-state batteries. Her representative recent work is “Achieving Balanced Performance and Safety for Manufacturing All‐Solid‐State Lithium Metal Batteries by Polymer Base Adjustment” (Adv. Energy Mater., 2025). Her current h-index is approximately 13 with ~1,164 citations (estimated) according to public metrics. She has received recognition for her contributions in battery materials and solid-state electrolytes. Looking ahead, she aims to drive breakthroughs in safe, high-energy density solid-state battery systems via multiscale modeling and experimental validation.

Profile : Orcid

Featured Publications

Yi, X., Li, H.*, Yang, Y., Xiao, K., Zhang, S., Wang, B., Wu, N., Cao, B., Zhou, K., Zhao, X., Leong, K. W., et al. (2025). Achieving balanced performance and safety for manufacturing all-solid-state lithium metal batteries by polymer base adjustment. Advanced Energy Materials, 15(3), 2404973.

Yi, X., Li, H.*, et al. (2025). Strategically tailored polyethylene separator parameters enable cost-effective, facile, and scalable development of ultra-stable liquid and all-solid-state lithium batteries. Energy Storage Materials, 77, 104191.

Chen, N., Yi, X., Liang, Y., et al. (2025). Terminal steric shielding resolves solvent co-intercalation degradation: Molecularly tailored weak-solvation electrolytes for structurally durable K-ion batteries. Chemical Engineering Journal. (Accepted).

Qi, G., Yi, X.*, et al. (2025). Electrochemical-mechanical coupled phase-field modeling for lithium dendrite growth in all-solid-state lithium metal batteries. Journal of Energy Chemistry, 110, 80–87.

Chen, N., Yi, X., Liang, Y., et al. (2024). Dual-steric hindrance modulation of interface electrochemistry for potassium-ion batteries. ACS Nano, 18(32), 32205–32214.

Mr. Mondher Dhifet | Best Researcher Award

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Mr. Mondher Dhifet | Best Researcher Award

Faculty of Sciences of Gafsa | Tunisia

Mondher Dhifet is an accomplished researcher and maitre-assistant at the Faculty of Science of Gafsa, Tunisia, with a Doctor of Education from the University of Monastir (1997–2024). With 18 publications, 59 citations, and an h-index of 4, his research primarily focuses on porphyrin and metalloporphyrin chemistry, bioinorganic chemistry, coordination chemistry, and structural analysis. Dhifet has developed novel zinc(II), iron(II), and iron(III) porphyrin complexes, characterized through spectroscopic techniques, X-ray crystallography, and computational methods including DFT and Hirshfeld surface analysis. His expertise spans organic synthesis, heterocyclic chemistry, and the design of bioactive complexes, contributing to advancements in synthetic and structural inorganic chemistry. Over his academic career, he has been affiliated with the Faculty of Science of Gafsa since 2012, mentoring students and collaborating with international researchers. His work has been recognized for its methodological rigor and impact in molecular structure characterization and coordination chemistry. Dhifet continues to advance the field of porphyrin-based materials and bioinorganic systems, fostering innovative research that bridges synthetic chemistry and computational modeling, supporting the development of functional metalloporphyrin complexes for biological and materials applications.

Profiles : Research Gate | Scopus

Featured Publications

Ben Khelifa, A., Abd El Fattah, W., Dhifet, M., & Ghalla, H. (2026). New bioactive Zinc (II) porphyrin dimer complex: Spectroscopic and X-ray molecular structure characterization. Journal of Molecular Structure.

Dhifet, M., Benzerroug, N., Almutairi, T. M., & Issaoui, N. (2025). Synthesis, spectroscopic properties, structural characterization, and computational studies of a new non-centrosymmetric hybrid compound: Bis-cyanato-N chromium(III) meso-arylporphyrin complex. Journal of Molecular Structure.

Dhifet, M., Guelmami, L., Zaki, K., & Bouzid, G. (2025). Comprehensive synthesis and characterization of a novel Fe–porphyrin complex: Crystal structure, spectroscopic investigations, Hirshfeld surface analysis, and computational modeling (DFT, QTAIM-NCI/ELF). Journal of Molecular Structure.

Salhi, F., Dhifet, M., Bouzid, G., & Nasri, H. (2025). Synthesis, X-ray crystallography, spectroscopic characterizations, and density functional theory of the chloride-bound five-coordinate high-spin Iron(II) “Picket Fence” porphyrin complex. Journal of Molecular Structure.

Dhifet, M., Mohamed, H., Benzerroug, N., & Ben Salem, R. (2025). New bis-azido iron(III) meso-arylporphyrin complex: Spectroscopic characterization, solid-state molecular structure, DFT, MEP, QTAIM calculations, and Hirshfeld surface analyses. Journal of Molecular Structure.

Mr. Asif Khan | Best Researcher Award

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Mr. Asif Khan | Best Researcher Award

University of Science and Technology Bannu KPK  | Pakistan

Dr. Asif Nawaz Khan is a Pakistani physicist and lecturer at the University of Science and Technology Bannu (USTB), specializing in computational materials science. He is currently pursuing a Ph.D. in Physics at USTB, after completing an M.Phil. from Gomal University and an M.Sc. from Kohat University. Since 2009, he has been actively involved in teaching, supervising BS and M.Phil students, and guiding research in computational simulations and solar cell device modeling. His research focuses on the design and analysis of lead-free perovskite materials (3D and 2D) and their structural, optical, thermoelectric, elastic, thermodynamic, and phonon properties, along with molecular dynamics studies. He employs advanced simulation tools including WIEN2k, Quantum Espresso, CASTEP, and SCAPS-1D, and applies machine learning techniques for material property prediction. Dr. Khan has co-authored multiple high-impact publications, currently holding an h-index of 3 with 38 citations, reflecting his contributions to clean energy materials and sustainable photovoltaics. His work advances the understanding and development of efficient, stable, and multifunctional energy materials. Overall, Dr. Khan is committed to advancing computational materials research and training the next generation of scientists in energy and optoelectronic applications.

Profile : Google Scholar  

Featured Publications

Khan, A., Khan, N. U., Nawaz, A., Ullah, K., & Manan, A. (2024). A DFT study to explore structural, electronic, optical and mechanical properties of lead-free Na₂MoXO₆ (X= Si, Ge, Sn) double perovskites for photovoltaic and optoelectronic applications. Computational and Theoretical Chemistry, 1240, 114834. https://doi.org/10.1016/j.comptc.2024.114834

Hosen, A., Mousa, A. A., Nemati-Kande, E., Khan, A. N., Abu-Jafar, M. S., … (2025). Systematic computational screening and design of double perovskites Q₂LiMH₆ (Q= K, Rb; M= Ga, In, Tl) for efficient hydrogen storage: A DFT and AIMD approach. Surfaces and Interfaces, 106608. https://doi.org/10.1016/j.surfin.2025.106608

Khan, A. N., Rabhi, S., Jehangir, M. A., Charif, R., Khan, N. U., Begagra, A., … (2025). Evaluating A₂SrGeI₆ (A= K and Rb) lead-free double perovskites: Structural, elastic, and optoelectronic insights for clean energy. Inorganic Chemistry Communications, 174, 113949. https://doi.org/10.1016/j.inoche.2025.113949

Khan, N. U., Ghani, U., Khan, A., Khan, A. N., Ullah, K., Ali, R., & Fadhali, M. M. (2025). Theoretical insight into stabilities and optoelectronic properties of RbZnX₃ (X=Cl, Br) halide perovskites for energy conversion applications. Optical and Quantum Electronics, 57(1), 109. https://doi.org/10.1007/s11082-025-04789-1

Rabhi, S., Khan, A. N., Chinoune, O., Charif, R., Bouri, N., Al-Qaisi, S., … (2025). Insight into NaSiCl₃: A lead-free perovskite for the next generation revealed by DFT and SCAPS-1D. Physical Chemistry Chemical Physics, 27(25), 13490–13507. https://doi.org/10.1039/D5CP02345A