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chandra.cs@chem.iitkgp.ac.in
Room 113, 1st Floor - Tower B, JCG-PCR Building, Department of Chemistry, Indian Institute of Technology Kharagpur, West Bengal - 721302
Ph.D (2019): Indian Association for the Cultivation of Science (IACS), Jadavpur, India
M.Sc (2013): Visva-Bharati University, Santiniketan, India
B.Sc (2011): Visva-Bharati University, Santiniketan, India
Assistant Professor, Department of Chemistry, IIT Kharagpur (May 2026 - present)
DST-INSPIRE Faculty, School of Interdisciplinary Studies, IIT Madras (Nov 2025 - May 2026)
Postdoctoral Fellow, University of Milano-Bicocca, Milan, Italy (April 2024 - Sept 2025)
National Postdoctoral Fellow, CSIR-Central Leather Research Institute, Chennai, India (April 2022 - March 2024)
Postdoctoral Fellow, Karlsruhe Institute of Technology, Karlsruhe, Germany (July 2019 - March 2022)
My research lies at the interface of computational chemistry, materials science, artificial intelligence, and quantum computing. The central objective of my work is to develop physically grounded and computationally efficient strategies for understanding and discovering materials for sustainable energy conversion and storage. Rather than treating first-principles calculations and machine learning as independent approaches, I aim to integrate them into a unified workflow in which electronic-structure theory provides chemical insight and reliable data, while data-driven models accelerate the exploration of large materials spaces.
Our future research goals include, but are not limited to, the following:
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