Brief Biodata:

Abhishek Singh obtained his MSc (Physics) from IITDelhi and PhD (Materials science and engineering) from Institute for Materials Research, Tohoku University, Japan. He was a JSPS fellow at Tohoku University followed by postdoctoral research associate at University of California Santa Barbara and Rice University. He has been a faculty member of MRC since 2010.


  • Quantum ab-initio theory for real materials
  • Hydrogen generation and storage
  • Mechanical, structural, electronic, and magnetic, properties of nanostructures, including graphene, nanowires, nanotubes and nanoclusters
  • Theory of defects, impurities, doping, interfaces, and diffusion in bulk and nanomaterials

More Details

Recent Publications:

  1. A. Manjanath, and A. K. Singh, Low formation energy and kinetic barrier of Stone-Wales defect in infinite and finite silicene, Chem. Phys. Lett., 592, 52 (2014)
  2. A. Manjanath, V. Kumar, and A. K. Singh, Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets, PCCP, 16, 1667 (2014)
  3. T. Pandey, and A. K. Singh, Origin of enhanced thermoelectric properties of doped CrSi2, RSC Advances, 4, 3482 (2014)
  4. P. L. Bora, and A. K. Singh, New Insights into Designing Metallacarborane Based Room Temperature Hydrogen Storage Media, J. Chem. Phys. 139, 164319 (2013)
  5. J. M. de Almeida, A. R. Rocha, A. K. Singh, A. Fazzio, and A. J. R. da Silva, Electronic transport in patterned graphene nanoroads, Nanotechnology, 24, 495201 (2013)
  6. T. Pandey, D. Parker, D. J. Singh, and A. K. Singh, Thermoelectric properties of β-FeSi2, Journal of Applied physics, 114, 153704 (2013)
  7. D. Das, S. Kim, K-R. Lee, and A. K. Singh, Li diffusion through the doped and defected graphene, PCCP, 15, 15128 (2013)
  8. A. Roy, T. Pandey, N. Ravishankar, and A. K. Singh, Single crystalline ultrathin gold nanowires: Promising nanoscale interconnects, AIP Advances, 3, 032131 (2013)
  9. L. T. Singh, S. Bhattacharyya, A. K. Singh and K. K. Nanda, Mechanism for the compressive strain induced oscillations in the conductance of carbon nanotubes, Phys. Rev. Lett. 110, 095504 (2013)

Book Chapter

  1. A. K. Singh, V. Kumar and Y. Kawazoe, Theoretical advances in the electronic and atomic structures of silicon nanotubes and nanowires, Chapter 6 in: Nanosilicon, Ed. V. Kumar, p. 217 (2007) (Elsevier, Amsterdam)

For a complete list, please click here on this link