Sudipta Dash | Computational Chemistry | Best Researcher Award

Mr. Sudipta Dash | Computational Chemistry | Best Researcher Award

Kalinga Institute of Social sciences | India

Mr. Sudipta Dash is a scholar and academic leader specializing in Applied Physics, with research emphases on quantum optoelectronic materials, carbon‑based nanostructures, functional perovskites, and intelligent instrumentation using IoT and AI technologies. After completing his M.Sc. from Ravenshaw University, he pursued teacher education at Acharya Nagarjuna University, earning his B.Ed and M.Ed. Professionally, Mr. Dash’s career spans roles in higher education and administration: he served as Principal at Gayatri Degree College, Lecturer and then Assistant Professor at Kalinga Institute of Social Sciences, and as of 2024, he is Head of the Department there. He has been recognized with several honours, including CSIR‑NET (2019), GATE (2018), and multiple Best Poster Awards. His inventive work is evidenced by patents in areas like anti‑dandruff/anti‑ripening shampoos; carbon quantum dots; AI‑based digital education methods; and outcome‑based assessment aligned with NEP 2020. His publication record includes studies on perovskite band gap engineering, optoelectronic properties of lead‑free compounds, toxicity assessment of nanomaterials, among others.

Profiles : Scopus | Google Scholar

Featured Publications

  • Dash, S., Behera, D., Mohanty, S. K., Palai, G., & Mohanty, I. (2024). Unveiling the potential of lead‑free KInBr₃ and RbInBr₃ perovskites: A breakthrough in optoelectronic and photovoltaic performance through DFT (HSE hybrid functional) and SCAPS‑1D simulations. Phase Transitions, 97(11‑12), 826–845.

  • Dash, S., Mohanty, S., & Palai, G. (2025). First‑Principles Insights into Structural, Electronic, Elastic, and Optical Behavior of AlGeX₃ (X = Cl, Br) Perovskites. Russian Journal of Inorganic Chemistry, 1–9.

  • Dash, S., Behera, D., Mohanty, S., Panda, J., & Palai, G. (2025). Comprehensive investigations on the optoelectronic properties of lead‑free K₂InSbCl₆ compound. Next Research, Article 100607.

  • Dash, S., Mohanty, S., Behera, D., Mohanty, S. K., & Palai, G. (2025). Band gap engineering and optical response of SrSiO₃ perovskite for high‑efficiency photonic applications. MRS Advances, 1–8.

 

Nasarul Islam | Computational Chemistry | Best Researcher Award

Assist. Prof. Dr. Nasarul Islam | Computational Chemistry | Best Researcher Award

HKM Degree College Bandipora, India

👨‍🎓Profiles

🏫 Early Academic Pursuits

He embarked on his academic journey with a passion for Theoretical Inorganic and Organic Chemistry. His research during his Ph.D. focused on developing OLED and nonlinear device materials using computational methods. He delved into the electronic structure and spectral properties of chiro-optic systems and explored structure-property relationships for materials with applications in optical, magnetic, and electrical domains. These foundational experiences shaped his expertise in theoretical chemistry and material design.

💼 Professional Endeavors

He serves as an Assistant Professor in the Department of Chemistry at HKM-Govt. Degree College, Bandipora, J&K, India, since April 11, 2017. Alongside his teaching duties, he is an Academic Counsellor for Indira Gandhi National Open University (IGNOU). His collaborative work extends to notable institutions, including the National Institute of Technology, Jalandhar, where he investigates reaction mechanisms and molecular dynamics of ionic liquids in collaboration with Dr. Vikramjeet Singh.  Previously, Dr. Islam contributed significantly to research under the mentorship of Prof. (Dr.) S. S. Chimni at Guru Nanak Dev University, Amritsar. His work focused on enantioselective product formation from organocatalyzed processes and transition-state mechanisms.

🔬 Contributions and Research Focus

His research interests are rooted in computational chemistry. He employs quantum mechanical methods to design and investigate materials for energy storage and conversion, OLED devices, and transport systems. His work bridges theoretical models and practical applications, synthesizing theoretically designed charge transport materials for experimental validation. His focus spans: The electronic and optical properties of chiro-optic systems, Energy storage and conversion materials, Quantum mechanical studies on molecular dynamics and ionic liquids.

🌟 Impact and Influence

His contributions have earned him international recognition. He is an MRSC fellow of the Royal Society of Chemistry, UK, and has been acknowledged with numerous awards, including: The DSK Postdoctoral Fellowship (UGC-India), Recognition for outstanding contributions in reviewing from Spectrochimica Acta Part A, Multiple awards for oral and poster presentations at conferences. He also serves on the editorial boards of Frontiers in Applied Chemistry and the Journal of Computational Chemistry & Molecular Modelling, influencing research dissemination in his field.

📚 Academic Citations and Publications

He has an extensive portfolio of research publications cited globally. His work on OLED materials and ionic liquids is highly regarded, reflecting his impact in theoretical and applied chemistry.

🛠️ Technical Skills

He is proficient in a variety of computational and analytical techniques, including: Quantum mechanical modeling, Molecular dynamics simulations, Spectral analysis and transport property evaluation.

👩‍🏫 Teaching and Mentorship

As an educator, He is committed to advancing chemical education. His teaching philosophy integrates research with pedagogy, inspiring students to explore complex chemical systems. His guidance extends to research projects and academic counseling, fostering a culture of scientific curiosity.

🌍 Legacy and Future Contributions

His legacy lies in bridging computational insights with real-world applications, particularly in energy systems and material design. Moving forward, he aims to expand his research on sustainable materials and enhance collaborations to address global challenges in energy and materials science.

🌟 Key Highlights

His work stands as a testament to his dedication to advancing computational chemistry, fostering innovation, and mentoring the next generation of scientists. His endeavors reflect a balanced blend of theoretical exploration, practical synthesis, and impactful teaching.

📖Notable Publications

Advancements in ionic liquid-based corrosion inhibitors for sustainable protection strategies: from experimental to computational insights

Authors: Kumar, P.; Holmberg, K.; Soni, I.; Sillanpää, M.; Chauhan, V.
Journal: Advances in Colloid and Interface Science
Year: 2024

Quantitative structure-activity relationship and ADME prediction studies on series of spirooxindoles derivatives for anti-cancer activity against colon cancer cell line HCT-116

Authors: Kaur, S.; Kaur, J.; Zarger, B.A.; Islam, N.; Mir, N.
Journal: Heliyon
Year: 2024

Unveiling the potential of NiFe layered double hydroxide (LDH)/CuWO4 S-scheme heterojunction for sulfamethoxazole photodegradation and nitrobenzene photoreduction to aniline

Authors: Sharma, R.; Sambyal, S.; Mandyal, P.; Chauhan, V.; Shandilya, P.
Journal: Journal of Environmental Chemical Engineering
Year: 2024

Fabrication of dual S-scheme based CuWO4/NiFe/WO3 heterojunction for visible-light-induced degradation and reduction applications

Authors: Sharma, R.; Islam, N.; Priye, A.; Chauhan, V.; Shandilya, P.
Journal: Journal of Environmental Chemical Engineering
Year: 2024

Cu2O/WO3: A promising S-scheme heterojunction for photocatalyzed degradation of carbamazepine and reduction of nitrobenzene

Authors: Mandyal, P.; Sharma, R.; Sambyal, S.; Chauhan, V.; Shandilya, P.
Journal: Journal of Water Process Engineering
Year: 2024

An Updated Overview on the Synthesis and Anticancer Evaluation of Quinazoline Derivatives

Authors: Kaur, J.; Kaur, S.; Anand, A.; Singh, S.; Singh, A.
Journal: ChemistrySelect
Year: 2023