Nabila Tabassum | Chemical Engineering | Excellence in Research Award

Published on by Young Scientists Awards

Ms. Nabila Tabassum | Chemical Engineering
| Excellence in Research Award

Shiv Nadar Institution fo Eminence, Greater Noida | India

Ms. Nabila Tabassum research trajectory focuses on the intersection of computational materials science, catalysis, and high-temperature materials engineering, emphasizing atomistic simulations and experimental validation for sustainable technological advancement. The work encompasses Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations for understanding the structural, mechanical, and thermal behavior of High Entropy Alloys (HEAs), High Entropy Ceramics (HECs), and High Entropy Oxides (HEOs), specifically for applications in thermal barrier coatings and energy systems. The studies explore thermal stability, phase transformations, and electronic properties of multi-component alloys such as AlCoCrFeNi, contributing to the prediction of thermodynamic behavior and optimization of mechanical strength under extreme conditions. Experimental research complements computational findings through synthesis, sintering, and characterization of high entropy materials, bridging modeling with practical performance. Additional work includes catalytic conversion of ethanol and methanol into hydrocarbons, glycerol reforming for hydrogen generation, and development of amine–ionic liquid-based solvents for CO₂ capture, aligning with global sustainability goals. The outcomes, disseminated through peer-reviewed journals, book chapters, and international conferences, demonstrate a cohesive integration of computational chemistry, thermomechanical modeling, and green energy research, advancing the understanding and design of next-generation materials for energy-efficient and environmentally resilient applications.

Featured Publication

Tabassum, N. (2025). Thermal stability assessment of mixed phase AlCoCrFeNi high entropy alloy: In silico studies. Physica B: Condensed Matter. https://doi.org/[Insert DOI if available]

Aayoosh Singh | Materials Chemistry | Young Scientist Award

Published on by Young Scientists Awards

Mr. Aayoosh Singh | Materials Chemistry | Young Scientist Award 

Research Scholar | Basnaras Hindu University | India

Mr. Aayoosh Singh is a research scholar and Ph.D. candidate at the Department of Chemistry, Banaras Hindu University (BHU), Varanasi, specializing in the design and development of multi-stimuli responsive optical materials for applications in sensing, imaging, and smart material technologies. His doctoral research, under the supervision of Prof. V. P. Singh, focuses on the design of coumarin-based multifunctional optical materials for the detection of Zn²⁺ and Cu²⁺ ions, with an emphasis on bioimaging. Mr. Aayoosh Singh possesses expertise in the multistep synthesis of both organic and inorganic optical materials, as well as extensive experience in photochemical sensing and the modulation of photophysical properties. He is proficient in advanced characterization techniques, including Single Crystal X-ray Diffraction (SC-XRD), FT-IR, NMR, HRMS, UV-Vis, fluorescence spectroscopy, and various electron microscopy methods. A skilled user of data analysis tools such as Origin, Olex2, and Gaussian, Aayoosh has contributed to several peer-reviewed publications in high-impact journals. His research has applications in environmental monitoring, medical diagnostics, and smart materials development. Apart from his research, Mr. Aayoosh Singh is involved in mentoring undergraduate and postgraduate students and has presented his work at national and international conferences. He has also been actively engaged in academic workshops focusing on research ethics and effective scientific writing. Mr. Aayoosh Singh work has garnered significant recognition, with 64 citations across 52 documents, 9 documents published, and an h-index of 4.

Featured Publications

  • Singh, A., Yadav, P., Singh, S., Kumar, P., Srikrishna, S., & Singh, V. P. (2023). A multifunctional coumarin-based probe for distinguishable detection of Cu²⁺ and Zn²⁺: Piezochromic, viscochromic, and AIE behavior with real sample analysis and bioimaging applications. Journal of Materials Chemistry C, 11(36), 13056–13066.

  • Singh, A., Yadav, P., Singh, A. K., Tamang, R., Koch, B., & Singh, V. P. (2025). Ultrasound defect-sensitive mechanochromic material with blue-shifted emission for the detection of Cu²⁺ in Alzheimer’s disease cells. Materials Chemistry Frontiers, 9, 1520–1533.

  • Singh, A., Singh, A. K., Yadav, P., Singh, A. K., Kumar, P., Srikrishna, S., & Singh, V. P. (2025). A stimuli-responsive multifunctional smart luminophore with aggregation-induced enhanced emission. Advanced Optical Materials (Revision submitted).

  • Singh, A. K., Singh, A., Patel, M., Singh, V. P., & Rosy, S. (2025). Metal-free graphitic carbon nitride nanosheet for dual-mode fluorescence and electrochemical detection of para-nitrophenol. Nanoscale, 17, 13238.

  • Singh, A. K., Yadav, P., Singh, A., Singh, A. K., Sharma, S. K., Sonkar, V. K., & Singh, V. P. (2025). A coumarin-derived multi-faceted optical material with molecular logic gate for bioimaging. Journal of Materials Chemistry C, 13, 12388–12399.

  • Gond, S., Yadav, P., Singh, A., Garai, S., Shekhar, A., Gupta, S. C., & Singh, V. P. (2023). A colorimetric and OFF–ON fluorometric chemosensor based on a rhodamine–pyrazole derivative for the detection of Al³⁺, Fe³⁺, and Cr³⁺ ions, and its intracellular application. Organic & Biomolecular Chemistry, 21(25), 4482–4490.