Staff Dr. Sambasiva Rao Chinnamsetty

Mr. Chinnamsetty has left the institute. This page is no longer maintained.

E-Mail: ed tod nnob-inu tod sni ta smannihca tod b@foo tod de

Research Interests

Multiscale Methods

  • Adaptive multiscale method for the horizontal coupling of quantum mechanics and molecular dynamics
  • Electron correlation methods

Tensor Decompositions and Applications

  • Density fitting schemes in electronic structure calculations
  • Orbital products for evaluation of Coulomb and exchange integrals in quantum mechanical methods
  • Efficient computation of high-dimensional integrals for explicitly correlated electronic structure methods

Wavelets and their Applications

  • Signal and image processing
  • Data-sparse representation of functions and tensors
  • Orbital products in wavelet bases for evaluation of n-electron integrals in quantum chemical methods

Current Research Projects

Publications

  1. An adaptive multiscale approach for electronic structure methods. M. Griebel, J. Hamaekers, and R. Chinnamsetty. Multiscale Modeling & Simulation, 16(2):752–776, 2018. Also available as INS Preprint No. 1601. BibTeX PDF DOI
  2. Mesh-free canonical tensor products for six-dimensional density matrix : computation of kinetic energy in electronic structure calculations. S. R. Chinnamsetty, M. Espig, and W. Hackbusch. International journal of computational methods, 2013. BibTeX
  3. Bridging the gap between quantum Monte Carlo and F12-methods. S. R. Chinnamsetty, H. Luo, W. Hackbusch, H.-J. Flad, and A. Uschmajew. Chemical physics, 401:36–44, 2012. BibTeX DOI
  4. Canonical tensor products as a generalization of Gaussian-type orbitals. S. R. Chinnamsetty, M. Espig, H.-J. Flad, and W. Hackbusch. In M. Dolg, editor, Progress in physical chemistry 3 : modern and universal first-principles methods for many-electron systems in chemistry and physics, pages 391–404. Oldenbourg-Verlag, München, 2010. BibTeX Publisher
  5. Canonical tensor products as a generalization of Gaussian-type orbitals. S. R. Chinnamsetty, M. Espig, H.-J. Flad, and W. Hackbusch. Zeitschrift für physikalische Chemie, 224(3/4):681–694, 2010. BibTeX DOI
  6. Efficient multi-scale computation of products of orbitals in electronic structure calculations. S. R. Chinnamsetty, W. Hackbusch, and H.-J. Flad. Computing and visualization in science, 13(8):397–408, 2010. BibTeX DOI
  7. Tensor decomposition in electronic structure calculations on 3D Cartesian grids. B. N. Khoromskij, V. Khoromskaia, S. R. Chinnamsetty, and H.-J. Flad. Journal of computational physics, 228(16):5749–5762, 2009. BibTeX DOI
  8. Tensor decomposition in electronic structure calculations on 3D Cartesian grids. B. N. Khoromskij, V. Khoromskaia, S. R. Chinnamsetty, and H.-J. Flad. Journal of computational physics, 228(16):5749–5762, 2009. BibTeX DOI
  9. Wavelet tensor product approximation in electronic structure calculations. S. R. Chinnamsetty. Dissertation, Universität Leipzig, 2008. BibTeX
  10. Density fitting scheme for pseudo-potentials. S. R. Chinnamsetty, W. Hackbusch, and H.-J. Flad. The journal of chemical physics, 2008. BibTeX
  11. Tensor product approximation with optimal rank in quantum chemistry. S. R. Chinnamsetty, M. Espig, B. N. Khoromskij, W. Hackbusch, and H.-J. Flad. The journal of chemical physics, 127(8):084110, 2007. BibTeX DOI