Comparison of Nonlinear Conjugate-Gradient Methods for Computing the Electronic Properties of Nanostructure Architectures

In this article we report on our efforts to test and expand the current state-of-the-art in eigenvalue solvers applied to the field of nanotechnology. We singled out the nonlinear conjugate gradients (CG) methods as the backbone of our efforts for their previous success in predicting the electronic properties of large nanostructures and made a library of three different solvers (two recent and one new) that we integrated into the parallel PESCAN (Parallel Energy SCAN) code [3] to perform a comparison.

• Type: Conference
• Year: 2005
• Where: ICCS
• Authors: Stanimire Tomov, Julien Langou, Andrew Canning, Lin-Wang Wang, Jack Dongarra
• Keywords: Eigenvalue Solvers, ICCS 2005, Nonlinear Conjugate Gradients, Parallel Energy SCAN