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@INPROCEEDINGS{DiNapoli:153315,
author = {Di Napoli, Edoardo and Berljafa, Mario},
title = {{A}n {O}ptimized and {S}calable {I}terative {E}igensolver
for {S}equences of {D}ense {E}igenvalue {P}roblems},
reportid = {FZJ-2014-02956},
year = {2014},
abstract = {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 =},
month = {Apr},
date = {2014-04-06},
organization = {13th Copper Mountain Conference on
Iterative Methods, Copper Mountain
(United States), 6 Apr 2014 - 11 Apr
2014},
subtyp = {After Call},
cin = {JSC},
cid = {I:(DE-Juel1)JSC-20090406},
pnm = {411 - Computational Science and Mathematical Methods
(POF2-411) / Simulation and Data Laboratory Quantum
Materials (SDLQM) (SDLQM)},
pid = {G:(DE-HGF)POF2-411 / G:(DE-Juel1)SDLQM},
typ = {PUB:(DE-HGF)6},
url = {https://juser.fz-juelich.de/record/153315},
}