Speaker Name: Prof. Jithin John Varghese, Assistant Professor, IIT Madras

Date: 23-09-2026 (Wednesday)

Time: 14:30

Venue: LC001

Abstract: Carbon capture and chemical utilization is attractive as a means of mitigating the impact of CO2 emissions and enabling circular chemical processes. I will present two catalytic routes for CO₂ conversion: the co-catalyst-free cycloaddition of CO₂ with epoxides to form cyclic carbonates, and the hydrogenation of CO₂ to methanol. For cyclic carbonates synthesis, we use a combination of periodic Density Functional Theory simulations, morphology- and dimension-controlled synthesis of ZIFs, and kinetic experiments to unravel surface-structure-driven activity, cyclic carbonate selectivity, and catalyst stability. For methanol synthesis, we developed DFT-based microkinetic models for CO2 reduction on Cu/ZnOx/ZrOx/Al2O3 and Cu/ZnOx/Al2O3 catalysts. Computational infrared spectroscopic analysis of key reaction intermediates was validated against operando IR spectroscopic data from the literature to identify active sites on the working catalysts. The validated microkinetic models predicted lab-scale reactor performance on these catalysts at a wide range of operational conditions of temperature, pressure, inlet gas composition and gas hourly space velocity. Overall, by combining complementary experimental and computational analyses, we reveal atomistic details of the active sites and their local environment at working conditions that are responsible for high intrinsic activity and product selectivity, guiding the design of efficient catalysts and optimum process conditions for chemical synthesis using CO2.

Bio: Dr Jithin John Varghese obtained his PhD from Nanyang Technological University, Singapore in 2017 under the supervision of Dr Samir H Mushrif. After post-doctoral studies in the Cambridge Centre for Advanced Research and Education in Singapore, he joined the Department of Chemical Engineering at the Indian Institute of Technology Madras in 2018 where he is currently working as an Associate Professor. He leads Computational Catalysis Group, focusing on computational heterogeneous catalysis and integration of computational and experimental workflows to develop catalytic processes for a clean environment and to produce fuels and chemicals sustainably. The group's primary interest is in catalytic conversion and utilization of CO2 as a chemical feedstock, and also in the capture and separation of carbon dioxide from mixtures. He is a member of the CCUS Lab at IIT Madras and the Society for CO2 Research and Innovation. He is the recipient of the Sistla Kameshwari Young Scientist Award 2024 from the Catalysis Society of India and the Prof. Y. B. G. Varma Teaching Excellence Award in Chemical Engineering for 2024. He also has experience in commissioning and operations of the High-Density Polythene unit of Indian Oil Corporation Limited (2008–2012).