Prof. Saroj Kumar NayakProfessor
School of Basic Sciences

Research Interests

First Principles Molecular dynamics Simulations, Nanostructures, Quantum transport, Quantum Biology

Contact Details

  • SBS-214
  • +91-674-713-5140

Other Profile Link(s)


 Degree Discipline Year School
 Ph.D. Physical Science 1995 Jawaharlal Nehru University




Quantum Mechanics, Electrodynamics


Author(s) Recent Publication (International Journals)
J. Giedt, A. Skinner, and S. K. Nayak
1 Effects of flavor-symmetry violation from staggered fermion lattice simulations of graphene, Phys. Rev. B, 83, 045420 (2011)
N. Kharche, S. R. Manjari, Y. Zhou, R. E. Geer, and S. K. Nayak
2 A comparative study of quantum transport in silver and copper nanowires using first principles calculations J. Phys. Cond. Matt. 23 085501, 2011
N. Kharche, Y. Zhou, K. P. O'Brien, S. Kar, and S. K. Nayak
3 Effect of Layer Stacking on the Electronic Structure of Graphene Nanoribbons ACS Nano, 5, 6096 (2011)
P. T. Shemella, N. I. Topilina, I. Soga, B. Pereira, G. Belfort, M Belfort, and S. K. Nayak
4 Electronic Structure of Neighboring Extein Residue Modulates Intein C-Terminal Cleavage Activity, Biophys. J., 100, 2217 (2011)
Y. Zhang, X-P Peng, Y. Chen, J. Chen, A. Curioni, W. Andreoni, S. K. Nayak and X.- C. Zhang
5 A first Principle Study of Terahertz (THz) Spectra of Acephate Chem. Phys. Letts. 452, 59 (2008).
D. Gandhi, M. Lane, Y. Zhou, A. P. Singh, S. Nayak, U. Tisch, M. Eizenberg, G. Ramnath
6 Annealing Induced Interfacial Toughening using a molecular monolayer Nature, 447, 299 (2007)
X. Peng, A. Alizadeh, S. Ganti, P. Sharma, S. K. Kumar, and S. K. Nayak
7 em>Strain-engineered photoluminescence of silicon nanoclusters Phys. Rev. B 74, 035339 (2006)
N. P. Adhikari, X. Peng, A. Alizadeh, S. Ganti, S. K. Nayak, and S. K. Kumar
8 Multiscale Modeling of the Surfactant Mediated Synthesis and Supramolecular Assembly, Phys. Rev. Letts. 93, 188301 (2004)
X. Y. Wu, A. Selloni, and S. K. Nayak
9 First principles study of CO oxidation on TiO2(110): The role of surface oxygen vacancies, J. Chem. Phys. 120, 4512 (2004)
X.Wu, M. C. Vargas, S. K. Nayak, V. Lotrich, G. Scoles
10 Towards extending the applicability of density functional theory to weakly bound systems, J. Chem. Phys. 115, 8748 (2001)

Academic Honors & Awards

  • Princeton Materials Institute Jr Fellow

Research Scholar

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