Ajin Rajan and Jithin John Varghese*, "Mechanistic insights into C–O bond cleavage in erythritol during hydrodeoxygenation on an Ir–ReOx catalyst", Reaction Chemistry & Engineering, 10, 27-37, 2025 (Featured on Front Inside Cover of the journal)

Raina Sharma, Tamilmani Selvaraj, Arun Kumar Solanki, Jithin John Varghese* and Govindasamy Jayamurugan*, "Sustainable Synthesis of Single-Phase Ba3MgSi2O8 Nanoparticles Using Sporopollenin for Fructose Syrup Production: DFT and Quantitative NMR Insights on Glucose Isomerization", ACS Sustainable Chemistry & Engineering, 12, 51, 18399–18411, 2024 (link)

Fatima Mahnaz, Balaji C Dharmalingam, Jasan Robey Mangalindan, Jenna Vito, Jithin John Varghese and Manish Shetty, "Metal cation exchange with zeolitic acid sites modulates hydrocarbon pool propagation during CO2 hydrogenation", Chem Catalysis, 101183, 2024 (link)

Rimita Bose, Ashok Yacham, Tarak K. Patra, Jithin John Varghese, Parasuraman Selvam, and Niket S. Kaisare*, "Molecular Mechanism of Reversible Gas Adsorption and Selectivity in ZIF-90", The Journal of Physical Chemistry C, 128, 31, 13207–13216, 2024 (link)

Tamilmani Selvaraj, Preeti Aghalayam, Jithin John Varghese*, "Unraveling the Effect of Mo Dopant in Fe2O3 Catalyst for Selective Catalytic Reduction of Nitric Oxide with NH3", Industrial & Engineering Chemistry Research, 63, 15, 6591–6599, 2024 (link)

Fatima Mahnaz, Jasan Robey Mangalindan, Balaji C. Dharmalingam, Jenna Vito, Yu-Ting Lin, Mustafa Akbulut, Jithin John Varghese and Manish Shetty*, "Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of In2O3/HZSM-5 Tandem CO2 Hydrogenation Catalyst", ACS Sustainable Chemistry & Engineering, 12, 13, 5197–5210, 2024 (link)

Marcello B. Solomon, Swapna S. Rabha, Gustavo Fimbres-Weihs, Himanshu Goyal, Firouzeh R. Taghikhah, Jithin J. Varghese, Samuel R. Wenger, Weibin Liang, Eleanor R. Kearns, Jun Huang, Niket S. Kaisare* and Deanna M. D’Alessandro*, "Decarbonization in Australia and India: Bilateral Opportunities and Challenges for the Net Zero Transformation", ACS Engineering Au, 4, 295−31, 2024 (link)

Anoop P Pushkar and Jithin John Varghese*, "Understanding the impact of small vanadia clusters and their coverage effects on undoped and Ni-doped ceria nanorod supports on propane oxidative dehydrogenation", Reaction Chemistry and Engineering, 9, 2050-2065, 2024 (link)

Jithin John Varghese, "The role of the metal core in the WOx inverse catalyst performance", Chem Catalysis, 3, 100780, 2023 (Invited preview article, link) 

Tamilmani Selvaraj, Preeti Aghalayam* and Jithin John Varghese*, “The Influence of oxygen vacancy and dopant in NiO catalysts on the selective catalytic reduction of NO with NH3”, Journal of Physical Chemistry C, 127, 19468-19477, 2023 (link)

Anoop P. Pushkar and Jithin John Varghese*, Surface reactivity of VOx/CeO2 (111) and the impact of transition metal doping of CeO2 support on oxidative dehydrogenation of propane", Journal of Catalysis, 425, 372-385, 2023 (link)

Ajin Rajan, Anoop P. Pushkar, Balaji C. Dharmalingam and Jithin John Varghese*, "Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling", iScience, 26, 107029, 2023 (link)

Ajin Rajan and Jithin John Varghese*, Towards selective glycerol hydrodeoxygenation to 1,3-propanediol with effective Pt-WOx catalyst design: Insights from first principles" Journal of Catalysis, 423, 94-104, 2023 (link)

B. Sathya Sai Rengam, Pushkala Venkatesh and Jithin John Varghese*, Impact of solvent sulfolane in enhancing methanol selectivity during methane partial oxidation on Fe-ZSM5 catalyst with H2O2 as an oxidant", Reaction Chemistry and Engineering, 8, 1260-1269,  2023 (Featured on Back Cover of the journal)

Balaji C. Dharmalingam, Ajay Koushik V, Mauro Mureddu, Luciano Atzori, Sarah Lai,
Alberto Pettinau, Niket S. Kaisare*, Preeti Aghalayam*, Jithin John Varghese*, Unravelling the role of metal-metal oxide interfaces of Cu/ZnO/ZrO2/Al2O3 catalyst for methanol synthesis from CO2: Insights from experiments and DFT-based microkinetic modeling", Applied Catalysis B, 332, 122743, 2023 (link)

Anoop P Pushkar and Jithin J. Varghese*, "Impact of surface-active site heterogeneity and surface hydroxylation in Ni doped ceria catalysts on oxidative dehydrogenation of propane", Journal of Catalysis, 413, 681-691, 2022  (link)

Jayashree Ethiraj*, R. Ajin, R.K. Sankaranarayanan, Ranjith Sekar*, Dhinakaran Veeman, Moola Joghee Nanjan and Jithin J. Varghese*, Crystallographic and computational investigations of structural properties in phenyl and methoxy‑phenyl substituted 1,4 dihydropyridine derivatives, Journal of Molecular Structure, 1254, 132378, 2022. (link)

Nicholas A. Jose, Jithin J. Varghese, Samir H. Mushrif, Hua Chun Zeng, & Alexei A. Lapkin, "Two-Dimensional Metal Organic Framework Superstructures via Solvent-Mediated Oriented Attachment", The Journal of Physical Chemistry C, 125, 22837–22847, 2021 (link)

Rimita Bose, Jayashree Ethiraj, Palla Sridhar, Jithin J. Varghese, Niket S. Kaisare & Parasuraman Selvam, "Adsorption of hydrogen and carbon dioxide in zeolitic imidazolate framework structure with SOD topology: experimental and modelling studies", Adsorption, 26, 1027-1038, 2020. (link)

Jithin J. Varghese*, "Computational design of catalysts for biowaste upgrading", Current Opinion in Chemical Engineering, 26, 20-27, 2019. (link)

Jithin J. Varghese, Liwei Cao, Christopher Robertson, Yanhui Yang, Alexei Lapkin, Lynn F Gladden and Samir H. Mushrif, “Synergistic contribution of acidic metal oxide and metal towards the selective hydrogenolysis of glycerol: a combined experimental and computational study using ReOx-Ir as the catalyst”, ACS Catalysis, 9, 485–503, 2019. (link)

Jithin J. Varghese*, Samir H. Mushrif, “Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review”, Reaction Chemistry and Engineering, 4, 165 - 206, 2019, (link) (RCE Emerging Investigators 2019  Themed Issue). Featured in Front Cover of Journal

Jithin J. Varghese, Bharathi Saravanan, Holger Vach, Gilles H. Peslherbe, Samir H. Mushrif, “First-principles investigation of the coupling-induced dissociation of methane and its transformation to ethane and ethylene, Chemical Physics Letters, 708, 21-27, 2018. (link)

Prince N. Amaniampong, Quang Thang Trinh, Jithin J. Varghese, Ronan Behling, Sabine Valange, Samir H. Mushrif and Francois Jerome, “Unraveling the mechanism of the oxidation of glycerol to dicarboxylic acids over a sonochemically synthesized copper oxide catalyst”, Green Chemistry, 20, 2730-2741, 2018. (link) Featured in Back Cover of Journal 

Kartavya Bhola, Jithin J. Varghese, Liu Dapeng, Liu Yan and Samir H. Mushrif, “The influence of Hubbard U parameter in simulating adsorption and reactivity on CuO: a combined theoretical and experimental study”, The Journal of Physical Chemistry C, 121, 21343–21353, 2017 (link)

Jithin J. Varghese and Samir H. Mushrif, “Insights into the C-H Bond activation on NiO surfaces: the role of nickel and oxygen vacancies and of low valent dopants on the reactivity and energetics”, The Journal of Physical Chemistry C, 121, 17969-17981, 2017 (link)

Jithin J. Varghese, Q. T. Trinh and Samir H. Mushrif, “Insights into the synergistic role of metal-lattice oxygen site pairs in four-centred C-H bond activation of methane: the case of CuO”, Catalysis Science and Technology, 6, 3984 – 3996, 2016 (link)

Jithin J. Varghese and Samir H. Mushrif, “First principles investigation of the dissociation and coupling of methane on small copper clusters: interplay of collision dynamics and geometric and electronic effects”, The Journal of Chemical Physics, 142, 184308, 2015 (link)

Samir H. Mushrif, Jithin J. Varghese, Chethan B.K., “Solvation dynamics and energetics of intramolecular hydride transfer reactions in biomass conversion”, Physical Chemistry Chemical Physics, 17, 4961-4969, 2015 (link)

Samir H. Mushrif, Jithin J. Varghese, Dion G. Vlachos, “Insights into the Cr(III) catalyzed isomerization mechanism of glucose to fructose in the presence of water using ab initio molecular dynamics”, Physical Chemistry Chemical Physics, 16, 19564-19572, 2014 (link)