Muhammad Yar Khan | Computational Methods | Best Researcher Award

Assoc. Prof. Dr. Muhammad Yar Khan | Computational Methods | Best Researcher Award

Associate Professor at Qilu institute of Technology | China

Dr. Hafiz Muhammad Yar Khan is an accomplished Materials Scientist and Associate Professor in Physics, with an extensive background in Density Functional Theory (DFT) Materials Modeling. He completed his Ph.D. in Materials Science Engineering at Zhejiang University, China (2023), which is ranked 41st in the QS World University Rankings (2022). His research is focused on novel 2D materials, energy storage materials, and the optical and magnetic properties of advanced materials, with significant contributions to the fields of spintronics, energy storage, and 2D magnetic materials.

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Early Academic Pursuits 🎓

Dr. Khan’s academic journey began with a Master of Science in Physics (M. Phil) from Hazara University Mansehra, Pakistan, in 2011, where he developed his passion for solid-state physics and computational material science. His dissertation focused on the first-principles study of perovskite-type oxides, laying the foundation for his later work in computational materials research. His focus on quantum mechanics, electrodynamics, and applied research techniques during his M.S. equipped him with a solid theoretical and experimental base.

Professional Endeavors 💼

Dr. Khan has held various teaching and administrative roles across prominent institutions in both Pakistan and China. His career includes serving as Lecturer in Physics at Kohat University of Science and Technology and The University of Haripur, Pakistan. His current position as Associate Professor at Qilu Institute of Technology, China, reflects his rising prominence in academia. Dr. Khan has also contributed to academic committees, such as being a member of the Academic Council at Kohat University and organizing events like sports day and international cultural day, showing his leadership in academic and extracurricular spheres.

Contributions and Research Focus 🔬

Dr. Khan’s research spans several cutting-edge areas in materials science. His Ph.D. dissertation on “First-Principles Study of Tuning Magnetic and Optical Properties of Novel 2D-Materials” focuses on materials such as transition metal carbon trichalcogenides and 2D magnetic materials. He has also explored energy storage technologies, such as Na and Li-ion batteries, providing insights into anode and cathode materials. His work also delves into optoelectronics and spintronics devices, underscoring his interdisciplinary approach.

Notable research topics include:

  • Magnetic and optical properties of 2D materials.

  • Energy storage materials (batteries, cathodes, and anodes).

  • Spintronics and optoelectronics for device applications.

Impact and Influence 🌍

Dr. Khan’s research has had significant implications in both academia and industry, especially in 2D materials and energy storage technologies. His publications in prestigious journals like Journal of Superconductivity and Novel Magnetism, Physics Letter A, and Nanoscale demonstrate his ability to contribute to high-impact research. His work is highly regarded in the scientific community, and he has collaborated with leading universities and institutions such as the New Jersey Institute of Technology (NJIT), Quaid-i-Azam University, University of Ulsan, and King Saud University.

His influence extends beyond materials science into academic collaboration, where he serves as a bridge between global research hubs in Pakistan, China, South Korea, and Saudi Arabia.

Research Skills 🧠

Dr. Khan is proficient in various computational software critical to materials science research, including:

  • WIEN2K

  • VASP

  • FLAPW

His ability to independently formulate research questions, conduct empirical research, and analyze data systematically has been key to his success. His first-principles approach has made him a leading figure in DFT-based materials modeling and theoretical materials science.

Teaching Experience 🍎

Dr. Khan has taught a variety of physics courses at undergraduate and postgraduate levels. He has mentored students in subjects such as Quantum Mechanics, Solid-State Physics, and Electrodynamics. He has also demonstrated his administrative skills in his role as Assistant Manager ORIC and member of the departmental admission committee, helping shape the academic landscape at institutions like Kohat University of Science and Technology and The University of Haripur. His teaching philosophy emphasizes the importance of research-driven education, encouraging students to engage with cutting-edge topics in material science and computational physics.

Awards and Honors 🏅

Dr. Khan has been recognized for his academic achievements with prestigious scholarships and fellowships, including:

  • Chinese Government Scholarship for his Ph.D. studies.

  • Brain Korea 21 (BK21) Fellowship by the Korean Government.

  • Pioneer Research Center Program through the National Research Foundation of Korea.

These awards underscore his commitment to academic excellence and his ability to secure competitive funding for his research endeavors.

Legacy and Future Contributions 🌟

Dr. Khan’s legacy is built on a solid foundation of innovative research, interdisciplinary collaborations, and a commitment to teaching. His future contributions are poised to make an impact not only in materials science but also in the energy sector, with further exploration into battery technologies, spintronics, and 2D materials. His ongoing work on defect-engineered materials and multiferroic hetero-structures is expected to push the boundaries of materials science in the coming years.

Publications Top Notes

“Computational insights into optoelectronic and magnetic properties of V(III)-doped GaN”

  • Authors: Muhammad Sheraz Khan, Muhammad Ikram, Li-Jie Shi, Bingsuo Zou, Hamid Ullah, Muhammad Yar Khan
    Journal: Journal of Solid-State Chemistry
    Year: 2021

“A highly selective nickel-aluminum layered double hydroxide nanostructures based electrochemical sensor for detection of pentachlorophenol”

  • Authors: Khan, Mir Mehran, Huma Shaikh, Abdullah Al Souwaileh, Muhammad Yar Khan, Madeeha Batool, Saima Q. Memon, and Amber R. Solangi
    Journal: Arabian Journal of Chemistry
    Year: 2024

“Exploring the structural stability of 1T-PdO2 and the Interface Properties of 1T-PdO2/Graphene Heterojunction”

  • Authors: Muhammad Yar Khan, Arzoo Hassan, Xiao-Qing Kelvin Tian, Abdus Samad
    Journal: ACS OMEGA
    Year: 2024

“Experimental Investigation of the Structural, Electrical, and Magnetic Properties of AgNbO3 Silver Nanobytes”

  • Authors: Junaid Khan, Shah Khalid, Pagunda3, Farhan Ahmad, Abdul Jabbar5, Rabah Khenata, Muhammad Yar Khan, and Heba G. Mohamed
    Journal: Journal of Materials Science

“Fabrication of nanofiltration membrane with enhanced water permeability and dyes removal efficiency using tetramethyl thiourea-doped reduced graphene oxide”

  • Authors: Sehrish Qazi, Huma Shaikh, Amber R. Solangi, Madeeha Batool, Muhammad Yar Khan, Nawal D. Alqarni, Sarah Alharthi, and Nora Hamad Al-Shaalan
    Journal: Journal of Materials Science

Ali Zaoui | Computational Methods | Computational Science Excellence Award

Prof. Ali Zaoui | Computational Methods | Computational Science Excellence Award

Djillali Liabes University of SIDI BELI ABBES | Algeria

Ali Zaoui is a Professor and Team Leader at the Physics Computational Materials Laboratory at the University of Sidi Bel Abbes, Algeria. With a distinguished career spanning several decades, he has made significant contributions to the field of computational materials science. Zaoui holds a PhD in Material Sciences and has taught in various capacities, progressing from General Physics to Nanotechnology at the University of Sidi Bel Abbes.

👨‍🎓Profile

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Early Academic Pursuits 🎓

Zaoui’s academic journey began with a B.Sc. in Physics from the University of Sidi Bel Abbes (1991-1996). He then pursued a M.Sc. in Solid State Physics (1998-2000), focusing on the electronic structure of BSb compounds using the FP-LAPW method. Zaoui continued his academic pursuit with a Ph.D. in Material Sciences (2000-2005), conducting groundbreaking research on TiCxN1−x, ZrxNb1−xC, and HfCxN1−x alloys through first-principles calculations. His early work established a foundation in ab-initio methods for studying the electronic structures of complex materials.

Professional Endeavors 🧑‍💼

Zaoui’s professional career includes roles as a Professor at the University of Sidi Bel Abbes, where he has been an influential faculty member since 2005. Additionally, he has held leadership roles, such as Team Leader and Director of various computational material science laboratories. His contributions extend beyond teaching, as he has also served in prominent positions such as Dean of the Faculty of Exact Sciences at the Djillali Liabes University and President of the Doctoral Formation Committee.

Contributions and Research Focus 🔬

Zaoui’s research focus spans a range of topics, with particular emphasis on computational physics, material science modeling, and condensed matter physics. His expertise lies in studying strongly correlated systems, magnetism, and superconductivity in atomic and condensed matter physics. His contributions in first-principles calculations have advanced the understanding of alloy properties, nanostructures, and electronic behaviors of various materials. Notable works include research on Hf3N4 and Zr3N4 compounds, as well as RE2Ni2Pb (R=Er, Ho), contributing to the advancement of material science through simulation and modeling techniques.

Impact and Influence 🌐

Zaoui’s impact in the field of computational material science is substantial, with significant influence in educating future generations of physicists. As a team leader, he has guided a range of research projects that continue to shape the field. His involvement in summer schools, conferences, and workshops on DFT, simulation methods, and materials modeling has contributed to international collaborations and the sharing of knowledge on an international scale. His research has shaped the academic landscape of materials science, particularly in Algeria and North Africa.

Academic Cites 📚

Zaoui’s academic works have gained significant recognition and have been cited in a wide array of material science journals. His research on Hf3N4 and Zr3N4 compounds, along with his contributions to optical properties of semiconductors and first-principles simulations, has been referenced widely in the scientific community. His work is highly regarded for its accuracy, innovation, and practical application in understanding the electronic structures of materials.

Research Skills 🧑‍🔬

Zaoui’s research is known for the depth of computational analysis and precision in applying first-principles calculations. He is highly skilled in using DFT, LDA+U methods, and ab-initio techniques to model complex material properties, from magnetism to superconductivity. His computational techniques allow for predictive modeling of material behaviors, an essential aspect in the development of new materials for various applications. Zaoui’s research is marked by his ability to bridge theory with practical outcomes, bringing computational insights into real-world scenarios.

Teaching Experience 📖

Zaoui has a rich and diverse teaching experience, spanning from general physics to specialized subjects like magnetism, thermodynamics, and nanotechnology. He has taught at both undergraduate and graduate levels, including at institutions like the Higher School of Computer Science of Sidi Bel Abbes. His teaching extends beyond the classroom, having led seminars, summer schools, and research conferences. His commitment to educating the next generation of physicists has made a lasting impact on the scientific community in Algeria.

Awards and Honors 🏆

While detailed awards are not listed in the provided information, Zaoui’s significant contributions to computational material science, his leadership in education, and his influential research undoubtedly position him for recognition in various academic circles. His leadership role in organizing scientific committees and overseeing doctoral training programs reflects his contribution to the academic excellence in material science.

Legacy and Future Contributions 🌱

Zaoui’s legacy is deeply rooted in his research, teaching, and leadership in computational materials science. His future contributions are expected to continue influencing the advancement of computational tools and material science innovations. With his focus on nanotechnology, superconductivity, and magnetism, Zaoui is well-positioned to make future breakthroughs in the understanding of next-generation materials. As his work continues to inspire the global research community, Zaoui’s legacy will likely shape the future of computational materials science and nanotechnology for many years to come.

Publications Top Notes

Impact of polymer binders on the aggregation modes of two-pieces CSH composites

  • Authors: J., Jia, Jiwei; A., Zaoui, Ali; W., Sekkal, Wassila
    Journal: Cement and Concrete Research, Year: 2025

Molecular modeling of clay minerals: A thirty-year journey and future perspectives

  • Authors: A., Zhou, Annan; J., Du, Jiapei; A., Zaoui, Ali; W., Sekkal, Wassila; M.S., Sahimi, Muhammad Syamim
    Journal: Coordination Chemistry Reviews, Year: 2025

Crystal structure and magnetic properties of lithium nitridoferrate: Density functional theory calculations

  • Authors: M.R., Aced, Mohammed Reda; N., Benayad, Nawel; F., Drief, F.; S., Kacimi, Salima; M., Djermouni, Mostefa
    Journal: Journal of Magnetism and Magnetic Materials, Year: 2025

Exploring superconducting signatures in high-pressure hydride compounds: An electronic-structure analysis

  • Authors: C., Mohammed Krarroubi; N., Benayad, Nawel; F., Benosman, Fayssal; S., Kacimi, Salima; A., Zaoui, Ali
    Journal: Physica C: Superconductivity and its Applications, Year: 2025

Influence of particle size distribution and normal pressure on railway ballast: A DEM approach

  • Authors: Z., Yan, Zhu; A., Zaoui, Ali; W., Sekkal, Wassila
    Journal: High-speed Railway, Year: 2025

Discrete-Element Method Study of the Effect of Ballast Layer Depth on the Performance of Railway Ballast Bed

  • Authors: Z., Yan, Zhu; A., Zaoui, Ali; W., Sekkal, Wassila
    Journal: International Journal of Geomechanics, Year: 2025