Anand Mohan Verma


Anand Mohan Verma

Assistant Professor
Department of Chemical Engineering
Motilal Nehru National Institute of Technology Allahabad, Prayagraj, India-211004
E-mail: amverma[at]mnnit[dot]ac[dot]in
Telephone: +91-7663 070 315(O)

Research Publications

Articles

2026

  1. Verma, A. M; Chaturvedi, S.; Paul, S.; Nandi, S.; Sheshanarayana, R.; Santhosh, K.; Valavarasu, G; Dukkipati, A.; Gwie, C. G.; Moo, P. Y. and thers, Data-driven massive reaction networks reveal mechanistic pathways underlying catalytic CO2 hydrogenation. In Nature Communications, 2026.

2025

  1. Verma, A. M. and Kishore, N. Efficient CO2 reduction to methane on Ru2-based adjacent vacant graphene catalysts: insights into bimetallic synergies, thermodynamics, and kinetics. In Catalysis Science & Technology, 15 (7): 2379-2394, 2025.

2023

  1. John, A.; Verma, A. M.; Shaneeth, M and Govind Rajan, A. Discovering a Single-Atom Catalyst for CO2 Electroreduction to C1 Hydrocarbons: Thermodynamics and Kinetics on Aluminum-Doped Copper. In ChemCatChem, 15 (14): e202300188, 2023.
  2. Saleheen, M.; Mamun, O.; Verma, A. M.; Sahsah, D. and Heyden, A. Understanding the influence of solvents on the Pt-catalyzed hydrodeoxygenation of guaiacol. In Journal of Catalysis, 425: 212-232, 2023.
  3. Lal, D.; Konnur, T.; Verma, A. M.; Shaneeth, M and Govind Rajan, A. Unraveling low overpotential pathways for electrochemical CO2 reduction to CH4 on pure and doped MoS2 edges. In Industrial & Engineering Chemistry Research, 62 (49): 21191-21207, 2023.

2022

  1. Verma, A. M; Laverdure, L.; Melander, M. M and Honkala, K. Mechanistic origins of the pH dependency in Au-catalyzed glycerol electro-oxidation: insight from first-principles calculations. In ACS Catalysis, 12 (1): 662-675, 2022.
  2. Verma, A. K.; Verma, A. M. and Rajan, A. G. Theoretical understanding of electrochemical phenomena in 2D electrode materials. In Current Opinion in Electrochemistry, 36: 101116, 2022.

2021

  1. Verma, A. M.; Singh, S. P. and Ojha, RP Quantum chemical study of gas-phase reactions of isoprene with OH radicals producing highly oxidised second-generation products. In Journal of Molecular Modeling, 27 (2): 62, 2021.
  2. Verma, A. M; Melander, M. M and K., H. Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction. In Frontiers in Energy Research, 8: 606742, 2021.

2019

  1. Agrawal, K.; Verma, A. M. and Kishore, N. DFT investigation on thermochemical analyses of conversion of xylose to linear alkanes in aqueous phase. In Journal of Molecular Graphics and Modelling, 90: 199-209, 2019.
  2. Agrawal, K.; Verma, A. M and Kishore, N. Thermochemical conversion of guaiacol in aqueous phase by density functional theory. In ChemistrySelect, 4 (20): 6013-6025, 2019.
  3. Verma, A. M. and Kishore, N. First-principles study on the gas-phase decomposition of bio-oil oxygenated compounds over the palladium catalyst surface. In Physical Chemistry Chemical Physics, 21 (40): 22320-22330, 2019.
  4. Saleheen, M.; Verma, A. M.; Mamun, O.; Lu, J. and Heyden, A. Investigation of solvent effects on the hydrodeoxygenation of guaiacol over Ru catalysts. In Catalysis Science & Technology, 9 (22): 6253-6273, 2019.
  5. Kauppinen, M. M; Korpelin, V.; Verma, A. M.; Melander, M. M and Honkala, K. Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters. In The Journal of chemical physics, 151 (16), 2019.

2018

  1. Verma, A. M.; Agrawal, K.; Kawale, H. D and Kishore, N. Production of Toluene by Decomposition of 2-Hydroxy-6-methylbenzaldehyde: A DFT Study. In Chemistryselect, 3 (1): 220-229, 2018.
  2. Verma, A. M. and Kishore, N. Kinetics of decomposition reactions of acetic acid using DFT approach. In The Open Chemical Engineering Journal, 12 (1), 2018.
  3. Verma, A. M.; Kawale, H. D; Agrawal, K. and Kishore, N. Quantum chemical study on gas phase pyrolysis of p-isopropenylphenol. In Journal of Molecular Graphics and Modelling, 81: 134-145, 2018.
  4. Verma, A. M.; Agrawal, K.; Kawale, H. D and Kishore, N. Quantum chemical study on gas phase decomposition of ferulic acid. In Molecular Physics, 116 (14): 1895-1907, 2018.
  5. Verma, A. M.; Agrawal, K. and Kishore, N. Binding of phenolic model compounds with noble metal doped graphene sheets. In Computational and Theoretical Chemistry, 1134: 37-46, 2018.
  6. Verma, A. M.; Agrawal, K. and Kishore, N. Computational study on ring saturation of 2-hydroxybenzaldehyde using density functional theory. In ACS omega, 3 (8): 8546, 2018.
  7. Verma, A. M. and Kishore, N. Molecular modeling approach to elucidate gas phase hydrodeoxygenation of guaiacol over a Pd (111) catalyst within DFT framework. In Journal of molecular modeling, 24 (9): 254, 2018.
  8. Verma, A. M.; Agrawal, K. and Kishore, N. Elucidation of novel mechanisms to produce value-added chemicals from vapour phase conversion of ferulic acid. In Theoretical Chemistry Accounts, 137 (9): 122, 2018.
  9. Verma, A. M. and Kishore, N. Decomposition of acetic acid over Ru and Ru/MgO catalyst clusters under DFT framework. In Chemical Physics Letters, 711: 156-165, 2018.
  10. Verma, A. M. and Kishore, N. The Open Chemical Engineering. In Open Chemical Engineering Journal, 12: 14-23, 2018.

2017

  1. Verma, A. M. and Kishore, N. DFT study on gas-phase hydrodeoxygenation of guaiacol by various reaction schemes. In Molecular Simulation, 43 (2): 141-153, 2017.
  2. Verma, A. M. and Kishore, N. Thermochemistry analyses for transformation of C6 glucose compound into C9, C12 and C15 alkanes using density functional theory. In Molecular Physics, 115 (4): 413-423, 2017.
  3. Verma, A. M. and Kishore, N. Gas phase conversion of eugenol into various hydrocarbons and platform chemicals. In RSC advances, 7 (5): 2527-2543, 2017.
  4. Verma, A. M and Kishore, N. Production of Benzene from 2-Hydroxybenzaldehyde by Various Reaction Paths using IRC Calculations within a DFT framework. In ChemistrySelect, 2 (4): 1556-1564, 2017.
  5. Verma, A. M. and Kishore, N. Molecular modelling approach to elucidate the thermal decomposition routes of vanillin. In New Journal of Chemistry, 41 (17): 8845-8859, 2017.
  6. Verma, A. M. and Kishore, N. Molecular simulations of palladium catalysed hydrodeoxygenation of 2-hydroxybenzaldehyde using density functional theory. In Physical Chemistry Chemical Physics, 19 (37): 25582-25597, 2017.
  7. Verma, A. M. and Kishore, N. Platinum catalyzed hydrodeoxygenation of guaiacol in illumination of cresol production: a density functional theory study. In Royal Society Open Science, 4 (11): 170650, 2017.

2016

  1. Verma, A. M. and Kishore, N. DFT analyses of reaction pathways and temperature effects on various guaiacol conversion reactions in gas phase environment. In ChemistrySelect, 1 (19): 6196-6205, 2016.

Collections

2017

  1. Verma, A. M. and Kishore, N. A Succinct Review on the Upgradation of Lignin Derived Bio-Oil Model Components. In Sustainable Energy Technology and Policies, Springer, 2017.
  2. Verma, A. M. and Kishore, N. Current Advances in Bio-oil Upgrading: A Brief Discussion. In Sustainable Energy Technology and Policies, Springer, 2017.