SRM Supercomputer Center

Computational Science and Engineering



  1. Rajarshi Roya#, Ranjit Thapa#, Soubhik Chakrabarty, Arunava Jha, Priyanka R. Midyad, E. Mathan Kumar, Kalyan K. Chattopadhyay, Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide, Chemical Physics Letter, 677, 80–86, 2017. Same Contribution, IF: 1.860
  2. S. Nandhini, A. Rajkamal, Biswajit Saha and Ranjit Thapa*, First-Principles Identification of Site Dependent Activity of Graphene based Catalyst, Molecular Catalysis, 432, 242–249 2017. *Corresponding Author IF: 3.958
  3. Shatabda Bhattacharya, E. Mathan Kumar, Ranjit Thapa and Shyamal K. Saha, “Interlayer exchange coupling in Ni(OH)2/Graphene/Ni(OH)2 nanostructure using charge transfer effect at the interface”, Applied Physics Letter, 110, 032404, 2017 IF: 3.142
  4. Paramita Banerjee, Soubhik Chakrabarty, Ranjit Thapa*and G.P. Das, Exploring the catalytic activity of pristine T6[100] surface for oxygen reduction reaction: A first-principles study, Applied Surface Science, Article in Press, 2017*Corresponding Author IF: 3.15
  5. Soubhik Chakrabarty, Tisita Das, Paramita Banerjee, Ranjit Thapa, G. P. Das, Electron doped C2N monolayer as efficient noble metal-free catalysts for CO oxidation, Applied Surface Science, Article in Press, 2017*Corresponding Author IF: 3.15
  6. Mehta, S. K., Ratnam, M. V., Sunilkumar, S. V., Narayana Rao, D., and Krishna Murthy, B. V.,  Diurnal variability of the Atmospheric Boundary Layer height over a tropical station in the Indian Monsoon Region, Atmos. Chem. Phys.,17, 531-549 doi:10.5194/acp-17-531-2017,  2017. IF 5.114
  7. Thermodynamic Structure of the Convective Boundary Layer (CBL) over the Indian Monsoon Region during CAIPEEX campaigns Sanjay Mehta, Devendra Ojha, Shyam Mehta, Devarajan Anand, Daggumati Narayana Rao, Vanmathi Annamalai, Aravindhavel Ananthavel, and Saleem Ali
    acp-2017-323, Submitted on 06 Apr 2017  


  1. A. Rajkamal, E. Mathan Kumar, V. Kathirvel, Noejung Park, and Ranjit Thapa*, “Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study”, Scientific Reports, 6, 37822 2016*Corresponding Author IF: 5.228
  2. Rajarshi Roy#, Ranjit Thapa#, Gundam S. Kumar, Nilesh Mazumder, Dipayan Sen, S. Sinthika, Nirmalya S. Das and Kalyan K. Chattopadhyay, “Colossal magnetoresistance in amino functionalized graphene quantum dots at room temperature: Manifestation of weak anti-localization and doorway to spintronics”, Nanoscale, 8, 8245-8254, 2016. #Same Contribution IF: 7.76
  3. S. Sinthika, Vala Surya Teja, Y. Kawazoe, Ranjit Thapa* CO Oxidation Prefers Eley–Rideal or Langmuir–Hinshelwood Pathway: Monolayer vs. Thin Film of SiC. ACS Applied Materials & Interface, 8, 5290–5299, 2016. *Corresponding Author IF: 7.145
  4. A. Ghosh, P. Guha, Ranjit Thapa, S. Sinthika, M. Kumar, B. Rakshit, T. Dash, P. V. Satyam, Tuning Work Function of Randomly Oriented ZnO nanostructures by capping with Faceted Au nanostructure and Oxygen defects: Enhanced Field Emission Experiments and DFT studies, Nanotechnology, 27, 125701, 2016. IF: 3.821
  5. E. Mathan Kumar, B. Prajapat, B. Saha, Ranjit Thapa*, Spillover of Hydrogen on SiC-ML Surface: Doping Effect and Bond Exchange Mechanism, International Journal of Hydrogen Energy, 41, 3928, 2016. *Corresponding Author IF: 3.205
  6. K. Iyakutti, E. Mathan Kumar, Ranjit Thapa, R. Rajeswarapalanichamy, V. J. Surya, Y. Kawazoe, Effect of multiple defects and substituted impurities on the band structure of graphene: a DFT study, J Mater Sci: Mater Electron 2016. IF: 1.798
  7. K. Iyakutti, E. Mathan Kumar, I. Lakshmi, Ranjit Thapa, R. Rajeswarapalanichamy, V. J. Surya, Y. Kawazoe, Effect of surface doping on the band structure of graphene: a DFT study, Journal of Materials Science: Materials in Electronics, 27, 2728, 2016. IF: 1.798
  8. Sudheesh KP, Prayaga S, Madasamy P, Natarajan P* (2016) Shallow whole genome sequencing for the assembly of complete chloroplast genome sequence of Arachis hypogaea L. Frontiers in Plant Science 7:1106  (Impact factor: 4.5) 
  9. Characteristics of monsoon inversions over the Arabian Sea observed by satellite sounder and reanalysis data sets, Sanjeev Dwivedi, M. S. Narayanan, M. Venkat Ratnam, and D. Narayana Rao, Atmos. Chem. Phys., 16, 4497–4509, 2016. IF: 5.053


  1. U. N. Maiti, Ranjit Thapa, J. Lim, D. J. Li, S. O. Kim, Self-Size-Limiting Nanoscale Perforation of Graphene for Dense Heteroatom Doping,  ACS Applied Materials & Interface, 7, 25898, 2015. IF: 7.145
  2. S. Sinthika, E. Mathan Kumar, V. J. Surya, Y. Kawazoe, Noejung Park, K. Iyakutti, Ranjit Thapa*, Activation of CO and CO2 on Homonuclear Boron Bonds of Fullerene-like BN Cages: First Principles Study,  Scientific Reports, 5, 17560, 2015. *Corresponding Author IF: 5.228
  3. S. Sinthika, Ranjit Thapa*, Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene, RSC Advances 5, 93215, 2015. *Corresponding Author IF: 3.289
  4. Kusha Kumar Naik, Ruchita T. Khare, Rogerio V. Gelamo, Mahendra A. More, Ranjit Thapa, Dattatray J. Late,  Chandra Sekhar Rout, Enhanced electron field emission from NiCo2O4 nanosheet arrays, Material Research Express, 2 (2015) 095011. IF: 0.968
  5. Soubhik Chakrabarty, A. H. M. Abdul Wasey, Ranjit Thapa,* G. P. Das, First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device", AIP Advance, 5 (2015) 087163. *Corresponding Author, IF: 1.444
  6. A. Samantara, D. Mishra, S. Suryawanshi, M. More, Ranjit Thapa, D. J. Late, B. K. Jena, C. S. Rout, “Facile synthesis of Ag nanowires-rGO composites and their promising field emission performance”, RSC Advance, 5 (2015) 41887. IF: 3.289
  7. Dongbin Shin, Ranjit Thapa,* Noejung Park,* "An oxygen reduction catalytic process through superoxo adsorption states on n-type doped h-BN: a first-principles study", Current Applied Physics, 15, (2015) 727–732. *Corresponding Author, IF: 2.144
  8. S. Nandy, Ranjit Thapa, M. Kumar, T. Som, N. Bundaleski, O. M.N.D. Teodoro, R. Martins, E. Fortunato, “Efficient Field Emission from Vertically Aligned Cu2O1δ(111) Nanostructure Influenced by Oxygen Vacancy”, Advance Functional Materials, 25 (2015) 947–956. IF: 11.382
  9. S. Ratha, R. Khare, M. A. More, Ranjit Thapa, D. J. Late, C. S. Rout, "Field Emission properties of spinel ZnCo2O4 Microflowers", RSC Advance, 5 (2015) 5372-5378. IF: 3.289
  10. E. Mathan Kumar, S. Sinthika and Ranjit Thapa,* "First principles guide to tune h-BN nanostructures as superior light element based hydrogen storage material: Role of bond exchange spillover mechanism", Journal of Materials Chemistry A, 3 (2015) 304-313. *Corresponding Author, IF: 8.262
  11. Ranjit Thapa,* Saurabh Ghosh, S. Sinthika S, E. Mathan Kumar, Noejung Park, "Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study", Journal of Alloys and Compounds, 620 (2015) 156-163. *Corresponding Author, IF: 3.014
  12. First Complete Genome Sequence of a Probiotic Enterococcus faecium Strain T-110 and Its Comparative Genome Analysis with Pathogenic and Non-pathogenic Enterococcus faecium Genomes, P. Natarajan, M. Parani, J. Genetics and Genomics, 2015, 42, 43-46. IF: 2.924
  13. Spectral formulation of the elastodynamic boundary integral equations for bi-material interfaces, K. Ranjith, Inter. J. Solids and Structures, 2015, 59, 29-36. IF: 2.035
  14. Sudheesh KP, Balaji R, Shahid KT, Parani M, Natarajan P (2015) The complete chloroplast genome sequence of Indian mustard (Brassica juncea L.). Mitochondrial DNA. 27(6), 4622-4623 (Impact factor: 1.8)


  1. K. K. Naik, R. Khare, D. Chakravarty, M. A. More, Ranjit Thapa,* D. J. Late,* C. S. Rout,* Field Emission properties of ZnO Nanosheet Arrays, Applied Physics Letters, 105 (2014) 233101.  *Corresponding Author, IF: 3.142
  2. Dongbin Shin, S. Sinthika, Min Choi, Ranjit Thapa,* Noejung Park,* "Ab initio study of thin oxide-metal overlayers as an inverse catalytic system for dioxygen reduction with enhanced CO tolerance", ACS Catalysis, 4 (2014) 4074–4080. *Corresponding Author, IF: 9.307
  3. D. Sen#, Ranjit Thapa# and K. K. Chattopadhyay, "A first-principles investigation of oxygen reduction reaction catalysis capabilities of As decorated defect graphene", Dalton Transactions, 43 (2014) 15038. #Same Contribution, IF: 4.177
  4. SSinthika, E. Mathan Kumar, Ranjit Thapa*, Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: role of dopant and water in activity and catalytic de-poisoning", Journal of Materials Chemistry A, 2 (2014) 12812 - 12820. *Corresponding Author, IF: 8.262
  5. D. Sen, Ranjit Thapa, K. K. Chattopadhyay, "Rules of B-N doping in defect graphene sheet: A first-principles investigation of bandgap tuning and ORR catalysis capabilities", Chem Phys Chem, 15 (2014) 2542-2559. IF: 3.138
  6. G. Sandeep Kumar, Rajarshi Roy, Dipayan Sen, Uttam K. Ghorai, Ranjit Thapa,  Nilesh Mazumder, Subhajit Saha and Kalyan K. Chattopadhyay, "Amino-functionalized Graphene Quantum Dots: Origin of Tunable Hetrogeneous Photoluminescence" Nanoscale, 6 (2014) 3384-3391. IF: 7.76