Iterative Eigen-Solvers

[the 4 lowest eigenmodes for
an elasticity problem]

[256 subdomains partitioning]
Tools and Techniques
Our main efforts are on testing and expanding the current state-of-the-art in eigenvalue solvers applied to the field of nanotechnology. We are currently concentrated on:
  • Nonlinear Conjugate Gradient Methods (see [1]);
  • Efficient parallel implementation;
  • Preconditioning.
Our work uses software tools/libraries like
  • PESCAN; Lapack/ScaLapack; ParMetis and ParaGrid; FT-MPI, etc.

  • Quantum Nanostructures: computational prediction of their electronic properties (see [1]);
  • Computational Electromagnetics: computation of frequencies that "propagate";
  • Structural Dynamics: computation of vibration modes in elasticity problems.

[1] Stanimire Tomov, Julien Langou, Andrew Canning, Lin-Wang Wang, and Jack Dongarra, Comparison of Nonlinear Conjugate-Gradient Methods for Computing the Electronic Properties of Nanostructure Architectures, International Conference on Computational Science, May 2005.
[supported by the US DOE, Office of Science, Office of Advanced Scientific Computing (MICS) and Basic Energy Science under LAB03-17 initiative, contract Nos. DE-FG02-03ER25584 and DE-AC03-76SF00098]