Pratik Sarkar | Computational Chemistry | Research Excellence Award

Published on by Analytical Chemistry

Mr. Pratik Sarkar | Computational Chemistry | Research Excellence Award

IIT Kharagpur | India

Pratik Sarkar is a Ph.D. research scholar in Computational Chemistry at the Indian Institute of Technology Kharagpur, focusing on theoretical modeling of molecular and nanoscale systems using advanced quantum chemical methods. His research employs density functional theory (DFT) and high-level post–Hartree–Fock approaches, including CCSD(T) and DLPNO-CCSD(T), to investigate electronic structure, bonding, stability, and reactivity. A major theme of his work is the computational design of platinum-free nanocluster and nanoalloy catalysts based on boron, aluminum, and gallium for the oxygen reduction reaction, contributing to sustainable electrocatalysis. He also studies lithium–sulfur clusters to elucidate polysulfide intermediates and lithiation mechanisms relevant to next-generation battery technologies. In parallel, his research explores unconventional carbon chemistry, including planar pentacoordinate and hypercoordinate carbon motifs. By applying bonding and aromaticity analyses such as QTAIM, NICS, and AdNDP, he provides deep insights into multicenter bonding and electron delocalization. His work is published in leading physical chemistry journals and presented at national and international conferences.

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Featured Publications

Sudipta Dash | Computational Chemistry | Best Researcher Award

Published on by Analytical Chemistry

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.

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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.