Conference Presentation (Invited)

FZJ-2022-06207

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Novel Algorithms for Solving Structured Eigenvalue Problems Arising in the Description of Electronic Excitations

Penke, C. (Corresponding author)FZJ*

2022

Please use a persistent id in citations: http://hdl.handle.net/2128/33215

Abstract: Matrices arising in linear-response time-dependent density functional theory and many-body perturbation theory, in particular in the Bethe-Salpeter approach, show a 2 × 2 block structure. The motivation to devise new algorithms, instead of using general purpose eigenvalue solvers, comes from the need to solve large problems on high performance computers. This requires parallelizable and communication-avoiding algorithms and implementations. We point out various novel directions for diagonalizing structured matrices. These include the solution of skew-symmetric eigenvalue problems in ELPA, as well as structure preserving spectral divide-and-conquer schemes employing generalized polar decompostions.

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 5112 - Cross-Domain Algorithms, Tools, Methods Labs (ATMLs) and Research Groups (POF4-511) (POF4-511)
2. Novel System Architectures Design (NOVAS)

Appears in the scientific report 2022

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Database coverage:

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