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@ARTICLE{Kreienbuehl:280963,
      author       = {Kreienbuehl, Andreas and Naegel, Arne and Ruprecht, Daniel
                      and Speck, Robert and Wittum, Gabriel and Krause, Rolf},
      title        = {{N}umerical simulation of skin transport using {P}arareal},
      journal      = {Computing and visualization in science},
      volume       = {17},
      number       = {2},
      issn         = {1433-0369},
      address      = {Berlin},
      publisher    = {Springer},
      reportid     = {FZJ-2016-00674},
      pages        = {99 - 108},
      year         = {2015},
      abstract     = {In silico investigation of skin permeation is an important
                      but also computationally demanding problem. To resolve all
                      scales involved in full detail will not only require
                      exascale computing capacities but also suitable parallel
                      algorithms. This article investigates the applicability of
                      the time-parallel Parareal algorithm to a brick and mortar
                      setup, a precursory problem to skin permeation. The C++
                      library Lib4PrM implementing Parareal is combined with the
                      UG4 simulation framework, which provides the spatial
                      discretization and parallelization. The combination’s
                      performance is studied with respect to convergence and
                      speedup. It is confirmed that anisotropies in the domain and
                      jumps in diffusion coefficients only have a minor impact on
                      Parareal’s convergence. The influence of load imbalances
                      in time due to differences in number of iterations required
                      by the spatial solver as well as spatio-temporal weak
                      scaling is discussed.},
      cin          = {JSC},
      ddc          = {570},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511) / DFG project 450829162 - Raum-Zeit-parallele
                      Simulation multimodale Energiesystemen (450829162)},
      pid          = {G:(DE-HGF)POF3-511 / G:(GEPRIS)450829162},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000365114200005},
      doi          = {10.1007/s00791-015-0246-y},
      url          = {https://juser.fz-juelich.de/record/280963},
}