Department of Chemical Engineering


▌ Dr. Jithin John Varghese

Associate Professor


+91 44 22574182

Personal Website

Research Areas

Atomistic and computational modelling of catalytic reactions: catalytic conversion of light alkanes, biomass derivatives and carbon dioxide to fuels and chemicals


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Bose, R; Ethiraj, J; Sridhar, P; Varghese, J J; Kaisare, N S; Selvam, P: Adsorption of hydrogen and carbon dioxide in zeolitic imidazolate framework structure with SOD topology: experimental and modelling studies. Adsorption, 26 (7), pp. 1027-1038, 2020, ISSN: 09295607. (Type: Journal Article | Links | BibTeX)


Varghese, J J: Computational design of catalysts for bio-waste upgrading. Current Opinion in Chemical Engineering, 26 , pp. 20-27, 2019, ISSN: 22113398. (Type: Journal Article | Links | BibTeX)
Varghese, J J; Mushrif, S H: Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: A review. Reaction Chemistry and Engineering, 4 (2), pp. 165-206, 2019, ISSN: 20589883. (Type: Journal Article | Links | BibTeX)
Varghese, J J; Cao, L; Robertson, C; Yang, Y; Gladden, L F; Lapkin, A A; Mushrif, S H: Synergistic Contribution of the Acidic Metal Oxide-Metal Couple and Solvent Environment in the Selective Hydrogenolysis of Glycerol: A Combined Experimental and Computational Study Using ReO x -Ir as the Catalyst. ACS Catalysis, 9 (1), pp. 485-503, 2019, ISSN: 21555435. (Type: Journal Article | Links | BibTeX)


Varghese, J J; Saravanan, B; Vach, H; Peslherbe, G H; Mushrif, S H: First-principles investigation of the coupling-induced dissociation of methane and its transformation to ethane and ethylene. Chemical Physics Letters, 708 , pp. 21-27, 2018, ISSN: 00092614. (Type: Journal Article | Links | BibTeX)
Amaniampong, P N; Trinh, Q T; Varghese, J J; Behling, R; Valange, S; Mushrif, S H; Jérôme, F: Unraveling the mechanism of the oxidation of glycerol to dicarboxylic acids over a sonochemically synthesized copper oxide catalyst. Green Chemistry, 20 (12), pp. 2730-2741, 2018, ISSN: 14639262. (Type: Journal Article | Links | BibTeX)


Bhola, K; Varghese, J J; Dapeng, L; Liu, Y; Mushrif, S H: Influence of Hubbard U parameter in simulating adsorption and reactivity on CuO: Combined theoretical and experimental study. Journal of Physical Chemistry C, 121 (39), pp. 21343-21353, 2017, ISSN: 19327447. (Type: Journal Article | Links | BibTeX)
19 entries « 2 of 3 »