Publications

  • Suryanarayana, P., 2013. On spectral quadrature for linear-scaling Density Functional Theory. Chemical Physics Letters  584, 182-187 [LINK]

  • Suryanarayana, P., 2013. Optimized Purification for Density Matrix Calculation. Chemical Physics Letters 555, 291-295 [LINK]
  • Suryanarayana, P., Bhattacharya, K., Ortiz, M., 2013. Coarse-graining Kohn-Sham Density Functional Theory. Journal of the Mechanics and Physics of Solids 61(1), 38-60 [LINK]
  • Suryanarayana, P., Bhattacharya, K., 2012. Evolution of polarization and space charges in semiconducting ferroelectrics. Journal of Applied Physics 111, 034109. [LINK]
  • Suryanarayana, P., Bhattacharya, K., Ortiz, M., 2011. A mesh-free convex approximation scheme for Kohn-Sham density functional theory. Journal of Computational Physics 230 (13), 5226 - 5238. [LINK]
  • Suryanarayana, P., Gavini, V., Blesgen, T., Bhattacharya, K., Ortiz, M., 2010. Non-periodic finite-element formulation of Kohn-Sham density functional theory. Journal of the Mechanics and Physics of Solids 58(2), 256-280. [LINK]
  • M.G. Shaikh, S. Phanish, S.M. Sivakumar, 2006. Domain switching criteria for ferroelectrics. Computational Materials Science, 37(1-2), 178-186.  [LINK]