Doctorates' Information System

     Manju Verma

Ph.D. fromIIT Kharagpur - Chemical Engineering Department
Supervisor(s)  Dr. Parag A. Deshpande
Ph.D. status  Joined in 2012 :: In progress
AddressMauranipur, Distt. Jhansi, Uttar Pradesh, 284204
Formal Education
Exam / Degree Board / UnivBranchYear
M.Tech.IIT (BHU) VaranasiChemical Engineering2011
B.Tech.U.P.T.U. LucknowChemical Engineering2009

Research Areas
  • DFT calculations for biomimetic carbon capture catalysis.

  • Computational chemistry, DFT calculations
  • Heterogeneous catalysis, Nano catalysis, Surface adsorption
  • Gaussian09, Quantum espresso (simulation packages)
  • Avogadro, Jmol, VMD, GaussSum, Multiwfn, BKchem, Chemtool

  • Teaching experience of 1 year 4 month 21 days (1/8/2011-21/12/2012) in Motilal Nehru National Institute of Technology Allahabad as a Visiting Faculty.

Fellowships / Scholarships
  • Ministry of HRD Scholarship at IIT (BHU) Varanasi for M.Tech
  • Ministry of HRD Scholarship at IIT Kharagpur for Ph.D.

Papers Published in Journals
  • Computational insights into the activity of transition metals for biomimetic CO2 hydration. by M. Verma, K. B. Sravan Kumar, P. A. Deshpande J. Phys. Chem. C 120, 5577- 5584 (2016)
  • Computational design of new heterofullerene-based biomimetic alpha-carbonic anhydrase analogues. by M. Verma, P. A. Deshpande ChemPhysChem 17, 3120-3128 (2016)
  • Mechanistic insights into biomimetic carbonic anhydrase action catalyzed by doped carbon nanotubes and graphene. by M. Verma, P. A. Deshpande Phys. Chem. Chem. Phys. 19, 8757-8767. (2017)
  • Computational insights into biomimetic CO2 hydration activities of (poly)borate ions by M. Verma, P. A. Deshpande J. Phys. Chem. C 121, 17197-17206 (2017)
  • Highly active tungsten oxide nanoplate electrocatalysts for the hydrogen evolution reaction in acidic and near neutral electrolytes by A. K. Nayak, M. Verma, Y. Sohn, P. A. Deshpande, D. Pradhan ACS Omega 2, 7039-7047 (2017)

Papers Presented at Conferences
  • A DFT study of Ni(111) catalyzed carbon dioxide hydration via carbonic anhydrase mechanism. by M. Verma, P. A. Deshpande Theoretical chemistry symposium 2014 0 (2014)
  • Comparative analysis of biomimetic CO2 hydration over computationally designed ruthenium cluster decorated graphene/carbon nanotube. by M. Verma, P. A. Deshpande AIChE 2016 0 (2016)
  • Ni 7 atomic cluster as a biomimetic catalyst for CO2 hydration reaction. by M. Verma, P. A. Deshpande ChEmference 16 0 (2016)
  • A DFT study of biomimetic CO2 hydration over M-C69H20/MN3-C66H70 carbon nanotube. by M. Verma, P. A. Deshpande 7 th Asia-Pacific Congress on Catalysis, (APCAT)-7 0 (2017)
  • DFT study of biomimetic CO2 hydration over M-C95H26/MN3-C92H26 graphene by M. Verma, P. A. Deshpande 254th ACS National Meeting 0 (2017)

Indian Institute of Technology, Kharagpur-721 302, INDIA
Telephone Number +91-3222-255221 | FAX : +91-3222-255303