[the 4 lowest eigenmodes for
an elasticity problem]
[256 subdomains partitioning]
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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.
Applications
- 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.
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| [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]
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