Saroj Kumar Nayak – School of Basic Sciences

Prof. Saroj Kumar Nayak

Professor

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Research Interests:

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

Education

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

Quantum Mechanics, Electrodynamics

Princeton Materials Institute Jr Fellow

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)