001     153315
005     20221109161709.0
037 _ _ |a FZJ-2014-02956
100 1 _ |a Di Napoli, Edoardo
|0 P:(DE-Juel1)144723
|b 0
|e Corresponding Author
|u fzj
111 2 _ |a 13th Copper Mountain Conference on Iterative Methods
|c Copper Mountain
|d 2014-04-06 - 2014-04-11
|w United States
245 _ _ |a An Optimized and Scalable Iterative Eigensolver for Sequences of Dense Eigenvalue Problems
260 _ _ |c 2014
336 7 _ |a Conference Presentation
|b conf
|m conf
|0 PUB:(DE-HGF)6
|s 1398777648_20151
|2 PUB:(DE-HGF)
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336 7 _ |a Conference Paper
|0 33
|2 EndNote
336 7 _ |a Other
|2 DataCite
336 7 _ |a LECTURE_SPEECH
|2 ORCID
336 7 _ |a conferenceObject
|2 DRIVER
336 7 _ |a INPROCEEDINGS
|2 BibTeX
520 _ _ |a Sequences of eigenvalue problems consistently appear in a large class of applications based on the iterative solution of a non-linear eigenvalue problem. A typical example is given by the chemistry and materials science ab initio simulations relying on computational methods developed within the framework of Density Functional Theory (DFT). DFT provides the means to solve a high-dimensional quantum mechanical problem by representing it as a non-linear generalized eigenvalue problem which is solved self-consistently through a series of successive outer-iteration cycles. As a consequence each self-consistent simulation is made of several sequences of generalized eigenproblems P : Ax =
536 _ _ |a 411 - Computational Science and Mathematical Methods (POF2-411)
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|c POF2-411
|f POF II
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536 _ _ |a Simulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)
|0 G:(DE-Juel1)SDLQM
|c SDLQM
|f Simulation and Data Laboratory Quantum Materials (SDLQM)
|x 2
700 1 _ |a Berljafa, Mario
|0 P:(DE-HGF)0
|b 1
773 _ _ |y 2014
909 C O |o oai:juser.fz-juelich.de:153315
|p VDB
910 1 _ |a Forschungszentrum Jülich GmbH
|0 I:(DE-588b)5008462-8
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|6 P:(DE-Juel1)144723
913 2 _ |a DE-HGF
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|v Computational Science and Mathematical Methods
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913 1 _ |a DE-HGF
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914 1 _ |y 2014
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)JSC-20090406
|k JSC
|l Jülich Supercomputing Center
|x 0
980 _ _ |a conf
980 _ _ |a VDB
980 _ _ |a I:(DE-Juel1)JSC-20090406
980 _ _ |a UNRESTRICTED


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