Nabila Tabassum | Advanced Materials Engineering | Women Researcher Award

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Ms. Nabila Tabassum | Advanced Materials Engineering | Women Researcher Award

Shiv Nadar Instituion of Eminence, Greater Noida | India

Ms. Nabila Tabassum is a doctoral researcher in Chemical Engineering at the Shiv Nadar Institution of Eminence, Greater Noida, India, whose work spans computational and experimental materials science with a strong focus on atomistic simulations, high-entropy materials, and sustainable energy and catalysis applications. Her research programme is grounded in the integration of density functional theory (DFT) and molecular dynamics (MD) modelling with bench-scale synthesis and characterization of advanced materials. Key thematic areas include the design, modelling and fabrication of high-entropy alloys (HEAs) and high-entropy oxides/ceramics (HEOs/HECs) for high-temperature and thermal-barrier-coating applications; catalytic conversion of bio-derived feedstocks (such as ethanol) to olefins and value-added chemicals; and CO₂ capture / separation by mixed amine and ionic-liquid solvents. Through her research she has developed a broad toolkit comprising high-fidelity atomistic simulation of structural, thermal and mechanical properties of multi-component materials; synthesis via ball-milling, pressing and sintering; catalytic kinetics modelling and heterogeneous catalyst preparation (for example Cd-ZrO₂, Cu-ZrO₂, Fe-ZrO₂ systems); and experimental absorption-based CO₂ capture studies and bio-film formation for food-packaging systems. Her doctoral topic—“Atomistic Simulations for the Development of High Entropy Materials with Superior Thermal Stability and Mechanical Properties”—positions her at the frontier of materials design for extreme environments. Her publications include in 2024 “Structural, Mechanical and Thermal Properties of AlₓCoCrFeNi Alloys” (Metals and Materials International), and in 2025 “Thermal stability assessment of mixed-phase AlCoCrFeNi high entropy alloy: In silico studies” (Physica B). Earlier she published reviews on ethanol to olefins conversion and on CO₂ hydrogenation to ethanol, demonstrating her competence in catalytic processes and kinetic modelling. The citation metrics reflect early-career standing, with strong growth trajectory given the multidisciplinary nature of her work. Her project leadership and participation include: as Senior Research Fellow (SRF) on a Dassault Systèmes–funded project (2024) on development of high-entropy oxides for thermal barrier coatings; leading computational/experimental investigations of HEOs; and participating in synthesis and characterization studies on TBC materials and related coatings. She has also collaborated on catalyst design and CO₂ capture systems, bridging fundamental simulation with applied experimental work. In teaching and mentoring roles, Ms. Tabassum contributes to the academic environment via supervision of M.Tech/B.Tech students, and participates in international conferences and symposiums, thereby disseminating her findings and building networks across materials and energy research communities. Her simulation-first approach, coupled with experimental verification, places her in a strong position to impact high-temperature materials development, energy conversion technologies and sustainable chemical processes.

Profiles: Scopus | Google Scholar

Featured Publications

Ali, S. S., Ali, S. S., & Tabassum, N. (2022). A review on CO₂ hydrogenation to ethanol: Reaction mechanism and experimental studies. Journal of Environmental Chemical Engineering, 10(1), 106962. https://doi.org/10.1016/j.jece.2021.106962

Tabassum, N., Pothu, R., Pattnaik, A., Boddula, R., Balla, P., Gundeboyina, R., Challa, P., Rajesh, R., Perugopu, V., Mameda, N., Radwan, A. B., & Al-Qahtani, N. (2022). Heterogeneous catalysts for conversion of biodiesel-waste glycerol into high-added-value chemicals. Catalysts, 12(7), 767. https://doi.org/10.3390/catal12070767

Tabassum, N., & Ali, S. S. (2021). A review on synthesis and transformation of ethanol into olefins using various catalysts. Catalysis Surveys from Asia, 26(4), 261–280. https://doi.org/10.1007/s10563-021-09348-2

Boddula, R., Shanmugam, P., Srivatsava, R. K., Tabassum, N., Pothu, R., & Naik, R. (2023). Catalytic valorisation of biomass-derived levulinic acid to biofuel additive γ-valerolactone: Influence of copper loading on silica support. Reactions, 4(3), 465–477. https://doi.org/10.3390/reactions4030033

Tabassum, N., Sistla, Y. S., Burela, R. G., & Gupta, A. (2024). Structural, electronic, mechanical and thermal properties of AlₓCoCrFeNi (0 ≤ x ≤ 2) high-entropy alloy using density functional theory. Metals and Materials International, 30(6), 3349–3369. https://doi.org/10.1007/s12540-024-01709-6

Tabassum, N., & Sistla, Y. S. (2025). Thermal stability assessment of mixed-phase AlCoCrFeNi high-entropy alloy: In silico studies. Physica B: Condensed Matter, 712, 417319. https://doi.org/10.1016/j.physb.2025.417319

Sistla, Y. S., Burela, R. G., Gupta, A., & Tabassum, N. (2022). Optical, thermal, and mechanical properties of scheelite molybdate and tungstate materials using atomistic simulations. In Proceedings of the Biennial International Conference on Future Learning Aspects of Mechanical Engineering (FLAME 2022).

Tabassum, N., Sistla, Y., & Burela, R. (2022). The effect of pressure on phase transitions and properties of calcium tungstate solid-state material for laser applications using first-principles study. In Proceedings of YUKTHI Conference (2022).

Doudou Zhang | Materials Science | Best Researcher Award

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Dr. Doudou Zhang | Materials Science | Best Researcher Award 

Macquarie University | Australia

Dr. Doudou Zhang is a distinguished Macquarie University Research Fellow (Vice-Chancellor Fellow) and lecturer in the School of Engineering, renowned for her pioneering contributions to functional materials and photoelectrochemical (PEC) energy systems. Her research focuses on the development of advanced materials and device architectures for solar-to-hydrogen conversion, CO₂ reduction, and sustainable ammonia synthesis, integrating materials design, device engineering, and artificial intelligence (AI)-driven approaches to accelerate innovation in renewable energy technologies. Dr. Zhang received her Ph.D. in Chemistry from Shaanxi Normal University, followed by a prestigious postdoctoral research fellowship at the Australian National University (ANU) from 2019 to 2024, where she specialized in photo(electro)catalysis for sustainable hydrogen production. At Macquarie University, she leads several cutting-edge research projects as both sole and co-chief investigator, including the ARENA project (KC012) on accelerating the commercialization of direct solar-to-hydrogen technology (A$2.25M; A$163K at MQ), an ARC Discovery Project (DP250104928) on zero-gap photoelectrochemical ammonia synthesis (A$580K), and the Macquarie University Research Fellowship project on the direct synthesis of earth-abundant bifunctional catalysts (A$848K). Her research portfolio demonstrates a remarkable ability to attract competitive national and industry funding, exceeding A$10 million in cumulative project value through collaborations with industry leaders such as Fortescue Future Industries (FFI). Her earlier work as a main investigator contributed to multiple high-impact projects, including ARENA and FFI-funded initiatives focused on developing low-cost perovskite/silicon semiconductors and macroelectrode electrolysis systems, each driving substantial advances in low-cost green hydrogen production. Beyond academic research, Dr. Zhang has actively engaged with industry, leading consultancy projects like the AEA Ignite initiative (A$489K) for developing durable roll-to-roll functional coatings for next-generation energy devices. Dr. Zhang has achieved an H-index of 21 and over 1,970 citations (Google Scholar, October 2025), reflecting the global influence of her research in energy materials. She has authored 38 peer-reviewed journal papers, 1 book chapter, and 12 granted patents (including one patent that attracted A$833K industrial funding). Her publications are consistently featured in top-tier journals such as Energy & Environmental Science, Advanced Energy Materials, Applied Physics Reviews, Chemical Engineering Journal, Materials Today Energy, Angewandte Chemie International Edition, and Progress in Materials Science. Notably, over 31% of her works rank within the top 10% citation percentiles, and 76% are among the top 25% most cited papers globally. Her contributions also extend to scholarly authorship and thought leadership, including an invited chapter titled “Advances in Perovskite-Based Photocatalysts: Materials Design, Mechanisms, and Applications” in Semiconductors and Semimetals (Elsevier, 2025). Dr. Zhang’s recent works demonstrate the integration of AI and machine learning in catalyst discovery, as seen in her publication “Prospects of AI in Advancing Green Hydrogen Production”.

Profiles: Scopus | Orcid | Google Scholar

Featured Publications

Zhang, D., & Co-authors. (2025, September 25). Minimizing buried interface energy losses via urea phosphate derivatives enable high-efficiency carbon-based mesoscopic perovskite solar cells. Small. https://doi.org/10.1002/smll.202507384

Zhang, D., Pan, W., Lu, H., Wang, Z., Gupta, B., Oo, A. T., Wang, L., Reuter, K., Li, H., Jiang, Y., & Karuturi, S. (2025, September 1). Prospects of AI in advancing green hydrogen production: From materials to applications. Applied Physics Reviews, 12(3), 031335. https://doi.org/10.1063/5.0281416

Attar, F., Riaz, A., Zhang, D., Lu, H., Thomsen, L., & Karuturi, S. (2025, August 15). Advanced NiMoC electrocatalysts precisely synthesized at room temperature for efficient hydrogen evolution across pH ranges. Chemical Engineering Journal, 518, 164494. https://doi.org/10.1016/j.cej.2025.164494

Zhang, D., Pan, W. S., Sharma, A., Shen, H., Lem, O., Saraswathyvilasam, A., Yang, C., Weber, K., Wu, Y., Catchpole, K., Oo, A. T., & Karuturi, S. (2025, March). Over 14% unassisted water splitting driven by immersed perovskite/Si tandem photoanode with Ni-based catalysts. Materials Today Energy, 48, 101809. https://doi.org/10.1016/j.mtener.2025.101809

Wang, P., Oo, A. T., Chen, L., & Zhang, D. (2025). Recent advances of interfacial modification over tantalum nitride photoanodes for solar water oxidation: A mini review. Frontiers in Chemistry, 13, 1600959. https://doi.org/10.3389/fchem.2025.1600959

Zhang, D., Pan, W., Jiang, Y., & Co-authors. (2024, December 28). Defect management and crystallization regulation for high-efficiency carbon-based printable mesoscopic perovskite solar cells via a single organic small molecule. Journal of Materials Chemistry A. https://doi.org/10.1039/d4ta06877g

Ding, J., Zhang, D., Riaz, A., Gu, H., Soo, J. Z., Narangari, P. R., Jagadish, C., Tan, H. H., & Karuturi, S. (2024, November). Scalable amorphous NiFe(OH)x/Fe/graphene bifunctional electrocatalyst via solution-corrosion for water splitting. CCS Chemistry, 6, 2692–2703. https://doi.org/10.31635/ccschem.024.202404423

Zhang, D., & Co-authors. (2024, July 5). Solar-driven ammonia synthesis with Co–TiOx and Ag nanowires enhanced Cu₂ZnSnS₄ photocathodes. Applied Catalysis B: Environmental, 348, 123836. https://doi.org/10.1016/j.apcatb.2024.123836

Muhammad Yar Khan | Advanced Materials | Best Researcher Award

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Prof . Muhammad Yar Khan | Advanced Materials | Best Researcher Award

Prof . Muhammad Yar Khan | Qilu institute of Technology | China 

Dr. Hafiz Muhammad Yar Khan is an Associate Professor of Physics at Qilu Institute of Technology, China, with over a decade of teaching and research experience. He holds a Ph.D. in Materials Science & Engineering from Zhejiang University, China, where his research focused on density functional theory (DFT) modeling of 2D magnetic and energy storage materials. His work spans computational materials science, optoelectronics, spintronics, and nanomaterials, resulting in multiple publications in high-impact journals. Dr. Khan has also been awarded prestigious fellowships, including the Chinese Government Scholarship and Korea’s BK21 program, and has actively collaborated with international universities and research centers.

Author Profile

Scopus

Education

From the beginning of his academic journey, Dr. Hafiz Muhammad Yar Khan demonstrated an exceptional passion for science, particularly in the field of physics and materials science. His early education provided him with a strong foundation in core areas such as quantum mechanics, solid-state physics, nuclear physics, and mathematical methods. Driven by curiosity, he quickly became drawn toward advanced computational approaches to understanding the physical world. His postgraduate research immersed him in the study of perovskite-type oxides through first-principles modeling, sparking a lifelong dedication to theoretical and computational material science. His determination to explore the hidden properties of materials led him to pursue a doctorate in materials science and engineering, where he specialized in density functional theory and advanced computational modeling. This period marked the beginning of his transformation from a passionate student into a dedicated researcher and scholar.

Experience

Dr. Khan’s professional journey has been shaped by diverse experiences in academia and research, where he has served as a lecturer, researcher, and academic leader. He has contributed significantly to physics education, teaching a wide range of subjects to undergraduate and postgraduate students, and mentoring young scholars in their academic pursuits. Beyond classroom teaching, he has undertaken important administrative responsibilities, participating in academic councils, admission committees, and organizing student-focused events that enriched institutional culture. His academic career also expanded internationally, as he collaborated with multiple universities and research institutes across China, Korea, the United States, and the Middle East. These professional experiences reflect not only his commitment to advancing knowledge but also his dedication to building bridges between research communities worldwide.

Research Focus

At the heart of Dr. Khan’s academic profile lies his deep engagement with computational materials science. His research primarily focuses on first-principles studies, density functional theory modeling, and the exploration of novel two-dimensional materials. He has made significant contributions to understanding the electronic, magnetic, and optical properties of advanced materials, including transition metal dichalcogenides, van der Waals heterostructures, and defect-engineered nanostructures. His work provides key insights into the design of new materials for energy storage, optoelectronic devices, spintronics applications, and advanced battery technologies. By applying computational tools such as VASP, WIEN2k, and FLAPW, he has offered predictive models that guide experimental research and future technological applications. His publications in respected international journals highlight not only his technical expertise but also his ability to advance knowledge in fields of global importance, such as sustainable energy materials and nanotechnology.

Accolades and Recognition

Dr. Khan’s academic journey has been supported and recognized through numerous awards, fellowships, and honors. He was awarded the prestigious Chinese Government Scholarship for his doctoral studies, which enabled him to pursue advanced research at one of the world’s leading universities. His contributions have also been acknowledged through competitive fellowships such as the Brain Korea 21 (BK21) and Pioneer Research Center Program, reflecting his international standing as a promising researcher. Beyond scholarships, his role as a Hafiz-ul-Quran adds a unique dimension to his profile, combining spiritual dedication with intellectual achievement. His international collaborations and invitations to symposia, workshops, and research forums further underscore his growing recognition as a leading researcher in computational and materials science.

Impact and Influence

The impact of Dr. Khan’s work extends beyond publications and citations. His teaching career has touched the lives of countless students, many of whom have gone on to pursue advanced studies and careers in physics and materials science. His collaborative projects across countries demonstrate his commitment to knowledge exchange and global research cooperation. His insights into two-dimensional materials and energy applications directly contribute to fields addressing some of today’s most pressing challenges, such as renewable energy storage, efficient optoelectronic devices, and sustainable materials design. By combining teaching, research, and mentorship, he continues to inspire both students and colleagues to explore new frontiers in science.

Publications

A First-Principal Study of Monolayer Transition Metal Carbon Trichalcogenides.

Author: Muhammad Yar Khan, Yan Liu, Tao Wang, Hu Long, Miaogen Chen, and Dawei Gao
Journal: Superconductivity and Novel Magnetism
Year: 2021

Ferromagnetism of Ni and I co-doped CdS: A first-principles study

Author: Muhammad Yar Khan, Shengdan Tao, Haifei Wu，Qing Liao，Yilian Dai, Asif Ilyas, Jing Zhang, Miaogen Chen, Yunhao Lu
Journal: Physics
Year: 2023

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

Author: Sehrish Qazi,Huma Shaikh,Amber R. Solangi, Madeeha Batool, MuhammadYar Khan, Nawal D. Alqarni, Sarah Alharthi and Nora Hamad Al-Shaalan
Journal: Materials Science
Year: 2024

Conclusion

Dr. Hafiz Muhammad Yar Khan represents a rare blend of academic excellence, research innovation, and educational leadership. His journey from early studies in physics to advanced computational modeling of novel materials reflects unwavering dedication to knowledge and discovery. Through his teaching, research, and collaborations, he has contributed to solving challenges in energy, optoelectronics, and nanotechnology, while also inspiring the next generation of scientists. With a strong record of publications, international recognition, and a clear vision for the future, Dr. Khan stands as a distinguished scholar whose work continues to shape both the academic community and the broader scientific world. His legacy lies not only in his groundbreaking research but also in the lives he influences through mentorship, global collaborations, and a commitment to advancing science for societal benefit.