Gowtham

Research

Teaching

  Research Interests

1. Design, development, maintenance and optimization of parallel computing platform
2. Development of technological tools that aid/assist research and classroom teaching
3. Interaction of biological matter with nanomaterials
4. Electronic structure calculations of nanoclusters

  Research Publications

1. Electronic Structure Calculations of Substitutional and Interstitial H in Nb
   P. Khowash, S. Gowtham, M. J. Seel and R. Pandey
   Manuscript under review by the publisher
2. A Numerical Investigation Into Possible Mechanisms By That The A629P Mutant of ATP7A Causes Menkes Disease
   M. Kouza, S. Gowtham, M. J. Seel and U. H. E. Hansmann
   Physical Chemistry Chemical Physics, 12, 11390 (2010)
3. Theoretical Study of Physisorption of Nucleobases On Boron Nitride Nanotubes: A New Class of Hybrid Nano-Bio Materials
   S. Mukhopadhyay, S. Gowtham, R. H. Scheicher, R. Pandey and S. P. Karna
   Nanotechnology, 21, 165703 (2010)
4. Theoretical Study of Small Clusters of Indium Oxide: InO, In₂O, InO₂, In₂O₂
   S. Mukhopadhyay, S. Gowtham, R. Pandey and A. Costales
   Journal of Molecular Structure: THEOCHEM, 948, 31, (2010)
5. First-Principles Study of Physisorption of Nucleic Acid Bases on Small-Diameter Carbon Nanotubes
   S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey and S. P. Karna
   Nanotechnology, 19, 125701 (2008)
6. Physisorption of Nucleobases on Graphene: Density Functional Calculations
   S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey and S. P. Karna
   Phys. Rev. B, 76, 33401 (2007)
7. Theoretical Study of Sequential Oxidation of Clusters of Gallium Oxide: Ga₃O_n (n : 4 − 8)
   S. Gowtham, A. Costales and R. Pandey
   Chem. Phys. Lett., 431, 358 (2006)
8. Geometry, Electronic Properties, and Thermodynamics of Pure and Al-doped Li Clusters
   Mal-Soon Lee, S. Gowtham, H. He, K. C. Lau, L. Pan and D. G. Kanhere
   Phy. Rev. B, 74, 245412 (2006)
9. Structural, Energetic, Electronic, Bonding, and Vibrational Properties of Ga₃O, Ga₃O₂, Ga₃O₃, Ga₂O₃, and GaO₃ Clusters
   S. Gowtham, M. D. Deshpande, A. Costales and R. Pandey
   J. Phys. Chem. B, 109, 14836 (2005)
10. Theoretical Study of Neutral & Ionic States of Small Clusters of Ga_mO_n (m, n = 1, 2)
    S. Gowtham, A. Costales and R. Pandey
    J. Phys. Chem. B, 108, 17295 (2004)
11. Structure, Energetics, Electronic, and Hydration Properties of Neutral and Anionic Al₃O₆, Al₃O₇ and Al₃O₈ Clusters
    S. Gowtham, K. C. Lau, M. D. Deshpande, R. Pandey, A. K. Gianotto and G. S. Groenewold
    J. Phys. Chem. A, 108, 5081 (2004)