Hello everyone, welcome to my webpage

• I am Working as a “Teaching Assistant” in the Department of Physics, Gurucharan University, Silchar-788004, Assam, India (Joining Date: 05.08.2026).

• I have worked as a  "ANRF-National Post-Doctoral Fellow" at the Coal, Energy and Materials Sciences Division (CEMSD), CSIR-NEIST, Jorhat, Assam, India (Tenure Duration: 26/03/2024-25/03/2026).

• I have worked as a "Post-Doctoral Fellow" at the Advanced Computation and Data Sciences Division, CSIR-NEIST, Jorhat, Assam, India (Tenure Duration: 16/09/2022-18/03/2024).

I am Dr. Jyotirmoy Deb, a computational materials physicist specializing in density functional theory (DFT), electronic structure simulations, and machine learning (ML) for the discovery and design of advanced materials. I hold the prestigious National Post-Doctoral Fellowship (NPDF) at CSIR–NEIST, where my research focuses on the design of catalysts for clean energy applications, with emphasis on CO₂ reduction, hydrogen evolution and oxygen reduction, energy conversion, and sustainable materials innovation.

 My career is driven by the vision of using first-principles simulations to bridge theoretical physics, materials chemistry, and engineering applications. I explore how atomic-scale insights translate into real-world solutions in catalysis, optoelectronics, energy storage, and nonlinear optical (NLO) materials. By combining DFT with data-driven ML, I aim to accelerate materials screening, uncover design principles, and shorten the path from computation to experiment. 

I have authored 60+ research articles and book chapters, earning 2330 citations with an h-index of 30, and I am honoured to be listed among the “World's Top 2% Scientists” by Stanford University, USA, in collaboration with Elsevier, Netherlands and “World's Top 5% Scientists” by SciRank Global Registry. I also serve as a journal editor and peer reviewer for more than 20+ leading journals.