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@INBOOK{Baumeister:840228,
      author       = {Baumeister, Paul F. and Bornemann, Marcel and Zeller,
                      Rudolf and Pleiter, Dirk},
      title        = {{E}xascale {S}cientific {A}pplications: {P}rogramming
                      {A}pproaches for {S}calability, {P}erformance, and
                      {P}ortability: {KKR}nano},
      volume       = {1},
      address      = {Boca Raton, Florida, USA},
      publisher    = {Chapman and Hall/CRC},
      reportid     = {FZJ-2017-07782},
      isbn         = {9781138197541},
      series       = {Chapman $\&$ Hall/CRC computational science},
      pages        = {431-448},
      year         = {2017},
      comment      = {Exascale scientific applications : scalability and
                      performance portability / Straatsma, Tjerk P., ; Williams,
                      Timothy J. ; Antypas, Katerina},
      booktitle     = {Exascale scientific applications :
                       scalability and performance portability
                       / Straatsma, Tjerk P., ; Williams,
                       Timothy J. ; Antypas, Katerina},
      abstract     = {Addressing certain materials science problems, e.g.
                      inhomogeneous materials, using Density Functional Theory
                      will require exascale compute capabilities as a sufficiently
                      large number of atoms need to be simulated. In this chapter
                      we consider a particular approach and an implementation that
                      is optimized for extreme scale parallelism. We provide an
                      overview on the Kohn-Sham approach as well as its
                      application areas and discuss in detail the application
                      KKRnano. Here we focus on recent efforts to port this
                      application to GPU-accelerated architectures.},
      cin          = {JSC / IAS-1 / IAS-3},
      ddc          = {502.85},
      cid          = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)IAS-1-20090406 /
                      I:(DE-Juel1)IAS-3-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511) / 513 - Supercomputer Facility (POF3-513) / 144 -
                      Controlling Collective States (POF3-144)},
      pid          = {G:(DE-HGF)POF3-511 / G:(DE-HGF)POF3-513 /
                      G:(DE-HGF)POF3-144},
      typ          = {PUB:(DE-HGF)7},
      url          = {https://juser.fz-juelich.de/record/840228},
}