Preprints

• G. Prevot, Y. Girard, V. Repain, S. Rousset, A. Coati, Y. Garreau, J. Paul, N. Mammen and S. Narasimhan, "Elastic Displacements and Step Interactions on Metallic Surfaces: GIXD and ab initio study of Au(332)", submitted (2009).

• P. Ghosh, R. Pushpa, S. de Gironcoli and S. Narasimhan, “Effective coordination number :
  a simple indicator of activation energies for NO dissociation on Rh(100) surfaces”, submitted
  (2009).

• A.J. Hatt, B. Melot and S. Narasimhan, “Thermal Properties of Fe and Ni: Exchange-Correlation Errors and Magnetism”, submitted (2008).
   

Publications

•  M. Marathe, M. Imam and S. Narasimhan, “Mixing and Magnetic Properties of Surface Alloys: The Role of the Substrate”, accepted in Applied Surface Science (2009).

• R. Pushpa, P. Ghosh, S. Narasimhan and S. de Gironcoli, “Effective Coordination as a Predictor of Adsorption Energies: a Model Study of NO on Rh(100) and Rh/MgO(100) Surfaces”, Phys. Rev. B 79,165406 (2009).

• M. Marathe, M. Imam, and S. Narasimhan, “Elastic and chemical contributions to the stability of magnetic surface alloys on Ru(0001)”, Phys. Rev. B 79 085413 (2009).

• M. Imam, M. Marathe and S. Narasimhan, “Ni_x Pt_1−x /Rh(111): A Stable Surface Alloy with Enhanced Magnetic Moments”, Solid State Commun. 149 559 (2009).

• M. Imam, M. Marathe and S. Narasimhan, “Competition between elastic and chemical effects in the intermixing of Ag and Co on Rh(111)”, J. Chem. Sci. 120, 621 (2008).

• P. Ghosh, R. Pushpa, S. de Gironcoli and S. Narasimhan, “Interplay between bonding and magnetism in the binding NO to Rh clusters”, J. Chem. Phys. 128, 194708 (2008).

• R. Pushpa, U.V. Waghmare and S. Narasimhan, “Bond Stiffening in Small Nanoclusters and its Consequences”, Phys. Rev. B 77, 045427 (2008).

• M. Upadhyay Kahaly, S. Narasimhan and U.V. Waghmare, “Size dependence of structural, electronic, elastic and optical properties of selenium nanowires: A first-principles study”, J. Chem. Phys. 128 044718 (2008).

• J. Paul and S. Narasimhan, “Effect of coordination on bond properties: A first principles study”, Bull. Mater. Sci. 31 569 (2008).

• A. Aravindh et al., (S. Narasimhan, corresponding author), “Six C1−x O2 alloys: a possible route to stabilize carbon-based silica-like solids”, Solid State Commun. 144 273 (2007).

• P. Ghosh, S. Narasimhan, S. Jenkins and D.A. King, “Lifting of Ir(100) reconstruction by CO adsorption: an ab initio study, J. Chem. Phys. 126, 244701 (2007).

• J. Bhattacharjee, S. Narasimhan and U.V. Waghmare, “Distiribution of Electron Charge Centres: A Picture of Bonding Based on Geometric Phases”, arXiv:cond-mat/0612468 (2007).

• R. Pushpa, S. Narasimhan and U.V. Waghmare, “Symmetries, vibrational instabilities and routes to stable structures of clusters of Al, Sn and As”, Journal of Chemical Physics, 121 5211 (2004).

• S. Narasimhan, “Ab Initio Calculations of Metal Surfaces”, Transactions of the Materials Research Society of Japan 29 19 (2004).

• S. Narasimhan, “Stress, Strain and Charge Transfer in the Ag/Pt(111) System: A Test of Continuum Elasticity Theory”, Physical Review B 69 045425 (2004).

• R. Pushpa and S. Narasimhan, “Reconstruction of Pt(111) and Domain Patterns on Close
  Packed Metal Surfaces”, Physical Review B 67, 205418 (2003).
  
  
•   R. Pushpa and S. Narasimhan, “Double Stripe Reconstruction of the Pt(111) Surface”, Bulletin
    of Materials Science 26, 91 (2003).

• S. Narasimhan and S. de Gironcoli, “Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu”, Bulletin of Materials Science 26, 75 (2003).

• S. Narasimhan and R. Pushpa, “Honeycombs, Triangles and Bright Stars: Pattern Formation on Metal Surfaces”, in Physics at Surfaces and Interfaces, B.N. Dev (ed.), World Scientific, Singapore (2003).

• R.Pushpa and S. Narasimhan, “Stars and Stripes: Nanoscale Misfit Dislocation Patterns on Surfaces”, Pure and Applied Chemistry 74, 1663 (2002).

• S. Narasimhan, “Ab Initio Lattice Dynamics of Ag(110)”, Surface Science 496, 331 (2002).

• S. Narasimhan and S. de Gironcoli, “Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA”, Physical Review B 65, 064302 (2001).

• S. Narasimhan, “Ab Initio Calculations on the Anomalous Thermal Behaviour of FCC(110) Surfaces”, Applied Surface Science, 182, 293 (2001).

• S. Narasimhan “Reversed Anisotropies and Thermal Contraction of FCC(110) surfaces”, Physical Review B 64, 125409 (2001).

• S. Narasimhan, “ Surprises in the Physics of Metal Surfaces”, Journal of the Indian Institute of Science, 81, 15 (2001).

• S. Narasimhan “Phonon Softening and the Anomalous Thermal Expansion of Ag(111)”, Surface Science Letters, 417, L1166 (1998).

• S. Narasimhan and M. Scheffler “A Model for the Thermal Expansion of Ag(111)”, Zeitschrift fuer Physikalische Chemie, 202 253 (1997).

• S. Narasimhan and J.W. Davenport, “An ab initio study of polytetrahedral packing: the Al-Mg system”, Physical Review B, Rapid Communications 51, 659 (1995).

• J.W. Davenport, N. Chetty, R.B. Marr, S. Narasimhan, J.E. Pasciak, R.F. Peierls and M. Weinert, “First Principles Pseudopotential Calculations on Aluminum and Aluminum Alloys”, in Alloy Modeling and Design, G. M. Stocks and P.E.A. Turchi, eds., The Minerals, Metals, and Materials Society, Warrendale, PA (1994).

• S. Narasimhan and D. Vanderbilt, “Elastic-Stress Domains and the Herringbone Reconstruction on Au(111)”, Physical Review Letters 69, 1564 (1992).

• S. Narasimhan and D. Vanderbilt, “Anharmonic self energies of phonons in silicon”, Physical Review B, Rapid Communications 43, 4541 (1991).

• S. Narasimhan and D. Vanderbilt, “Lifetimes and frequency shifts of phonons in Si,” “Phonons 89,” vol. 1 (World Scientific) (1990).

• D. Vanderbilt, S.H. Taole and S. Narasimhan, “Anharmonic Elastic and Phonon Properties of Si”, Physical Review B 40, 5657 (1989).

• S. Krishnagopal, S. Narasimhan and S.H. Patil, “Multipolar Polarizabilities and Rydberg States,” J. Chem. Phys., 83, 5772 (1985).
  

Popular Science Articles

• "The Wholly Raman Empire: Bangalore's Emergence as a Centre of Science", in "Multiple City: Writings on Bangalore", Penguin, 2008.

• "Atomic Warrior''[about Ludwig Boltzmann], Resonance, September 2001.

• "Fifty Years of the Transistor", Deccan Herald Science Section, December 1997.

Article on Women in Science

• R. Godbole, N. Gupte, P. Jolly, S. Narasimhan and S. Rao, “Women in Physics in India, 2005”, in Women in Physics: 2nd IUPAP International Conference on Women in Physics, AIP Conference Proceedings 795 129, 2005.
  
  

• Invited talk, SCMP, Guwahati, 10/09.

• Invited talk, program on physics for schoolchildren, CNR Rao Educational Foundation, Bangalore, 10/09.

• Invited talk, Indo-Russian meeting on chemical sciences, Moscow, 9/09.

• Invited talk, International Materials Research Conference, Cancun, 8/09.

• Lectures, Summer School on Computational Materials Theory, Santa Barbara, 7/09.

• Seminar, Max Planck Institut fuer Metallforschung, Stuttgart, 5/09.

• Invited talk, workshop on Frontiers in Nanostructured Materials and Interfaces, Purdue University, 3/09.
  

• Colloquium, Department of Physics, University of Wisconsin at Milwaukee, 3/09.
  

• Invited talk, International Conference on Physics at Surfaces and Interfaces, Puri, 2/09.
  

• Invited talk, International Symposium on Clusters, Cluster Assemblies and Nanoscale materials, Allahabad, 2/09.
  

• Invited talk, 4th Indo-Israeli Conference in Condensed Matter Physics, Zfat, Israel, 11/08.
  

• Invited talk, Joint Indo-US Workshop on Scalable Nanomaterials for Enhanced Energy Transport, Conversion and Efficiency, Bangalore, 8/08.

• Invited talk, School on Electronic Structure Methods, Cape Town, South Africa, 7/08.
  

• Seminar, Max Planck Institut fuer Metallforschung, 6/08.
  

• Invited talk, Indo-Brazil Conference on Condensed Matter Theory, Rio de Janeiro, 4/08.

• Seminar, Department of Physics, Uppsala University, Sweden, 4/08.
  

• Invited talks, Workshop on Electronic Structure, Kolkata, 2/08.
  

• Invited talk, Winter School on the Chemistry and Physics of Materials, Bangalore, 12/07.

• Invited talk, Design 2007, Bangalore, 10/07.
  

• Seminar, Max-Planck-Institut fuer Festkoerperforschung, Stuttgart, Gremany, 7/07.
  

• AMASS Seminar, Massachusetts Institute of Technology, Cambridge MA, USA, 3/07.
  

• Invited talk, Indo-German Workshop on Emerging Materials: Theory and Experiment, Lonavala, 2/07.
  

• Invited talk, Asia-Sweden Conference on Magnetism in Materials, Kolkata, 1/07.
  

• Invited talk, Harvard-NCBS-JNCASR Symposium on Interdisciplinary Science, Bangalore, 8/06.
  

• Invited talk, KIAS-JNC Conference on Material Science and Condensed Matter Physics, Seoul, Korea, 5/06.

• Invited talk, Indo-EU Workshop on Computational Materials Science, Bangalore, India, 2/06.
  

• Invited talk, Indo-Japan Workshop on Surfaces for Nanostructured Materials, Tokyo, Japan, 11/05.
  

• Invited Talk, ICTP School on Electronic Structure Calculations and their Applications in Materials Science, Isfahan, Iran,4/05.
  

• Invited seminar, IFP, Juelich, Germany, 12/04.
  

• Invited talk, ICTP-NSFC-ICTS Asian/Pacific Regional School on Electronic Structure Methods and their Applications, Beijing, China, 7/04.
  

•  Invited talk, Workshop on the Physics of New Materials, Kolkata, 1/04.
  

• Invited talk, “Japan-India Seminar on Materials Education, Research and Advanced Materials”, Yokohoma, Japan, 10/03.

• Invited and Contributed talks, “8th IUMRS-ICAM 2003”, Yokhohama, Japan, 10/03.
  

• Seminar, Abdus Salam ICTP, Trieste, Italy, July 2003.

• Seminar, EPFL, Lausanne, Switzerland, July 2003.

• Invited talk, Interaction Meeting on Electronic Structure Calculations and Computational Materials Science, Pune, India, March 2003.

• Seminar, Cambridge University, Cambridge, U.K., July 2002.

• Posters, NANO-ECOSS, Malmo, Sweden, June 2002.

• Talk, Physical Electronics Conference, Atlanta, U.S.A., June 2002.

• Invited talk, PSI 2002, conference on Physics at Surfaces and Interfaces, Puri, India, March 2002.

• Invited talk, conference on ``Asymptotic Domains in Theoretical Physics", Indian Institute of Technology, Bombay, India, February 2002.

• Invited talk, Annual Meeting of the Materials Research Society of India, Hyderabad, India, February 2002.

• Contributed talk, 1st Meeting of the Asian Consortium for Computational Materials Science, Bangalore, November 2001.

• Seminar, Forschungszentrum, Juelich, Germany, May 2001.

• Seminar, Max Planck Institute for Metal Physics, Stuttgart, Germany, May 2001.

• Invited Talk, International Workshop on Nanomaterials, Kolkata, India, February 2001.

• Talk, Mini-workshop on Electronic Structure Calculations, SSCU, Indian Institute of Science, Bangalore, India, October 2000.

• Seminar, Chemical Engineering Dept., Indian Institute of Science, Bangalore, India, January 2000.

• Seminar, Max Planck Institute for Metal Physics, Stuttgart, Germany, July 1999.

• Seminar, Harvard University, Cambridge, USA, May 1999.

• Colloquium, University of Connecticut, Storrs, USA, May 1999.

• Seminar, University of California at Santa Barbara, USA, April 1999.

• Colloquium, University of Wisconsin at Milwaukee, USA, April 1999.

• Seminar, National Synchrotron Light Source, USA, April 1999.

• Seminar, Brookhaven National Laboratory, USA, April 1999.

• Contributed talk, Meeting of the American Physical Society, Atlanta, USA, March 1999.

• Invited Talk, UCSB-IISc-JNCASR Workshop, Bangalore, India, October 1998.

• Talk, IUMRS 98, Bangalore, India (Young Research Award), October 1998.

• Poster, ICSOS 96, Aix-en-Provence, France, July 1996.

• Surface Science Seminar, Rutgers University, USA, October 1995

• Solid State Seminar, Brookhaven National Laboratory, USA, October 1995.

• Seminar, KFA, Juelich, Germany, August 1995.

• Seminar, IRRMA, Lausanne, Switzerland, May 1995.

• Seminar, International Symposium on Ab Initio Molecular Dynamics, Zermatt, Switzerland, April 1995.

• Talk, Meeting of the German Physical Society, Berlin, Germany, March 1995.

• Talk, Meeting of the Materials Research Society, Boston, USA, November 1994.

• Contributed talk, Meeting of the American Physical Society, March 1994.

• Contributed talk, Meeting of the American Physical Society, March 1993.

• Surface Science Seminar, Rutgers University, April 1992.

• Invited talk, Meeting of the American Physical Society, March 1992.

• Condensed Matter Theory Seminar, Yale University, New Haven, USA, March 1992.

• Contributed talk, Meeting of the American Physical Society, March 1991.

• Condensed Matter Theory Seminar, Harvard University, Cambridge, USA, November 1990.

• Poster, International Conference on Phonon Physics, Heidelberg, Germany, August 1989.

• Contributed talk, Meeting of the American Physical Society, March 1989.