@inproceedings {INPROC-2018-50,
    author = {Steffen Hirschmann and Michael Lahnert and Carolin Schober and Malte Brunn and Miriam Mehl and Dirk Pfl{\"u}ger},
    title = {{Load-Balancing and Spatial Adaptivity for Coarse-Grained Molecular Dynamics Applications}},
    booktitle = {High Performance Computing in Science and Engineering '18},
    editor = {Wolfgang E. Nagel and Dietmar H. Kr{\"o}ner and Michael M. Resch},
    publisher = {Springer International Publishing},
    institution = {Universit{\"a}t Stuttgart, Fakult{\"a}t Informatik, Elektrotechnik und Informationstechnik, Germany},
    pages = {1--510},
    type = {Konferenz-Beitrag},
    month = {Oktober},
    year = {2018},
    isbn = {978-3-030-13324-5},
    doi = {10.1007/978-3-030-13325-2},
    language = {Englisch},
    cr-category = {G.1.0 Numerical Analysis General},
    ee = {ftp://ftp.informatik.uni-stuttgart.de/pub/library/ncstrl.ustuttgart_fi/INPROC-2018-50/INPROC-2018-50.pdf},
    department = {Universit{\"a}t Stuttgart, Institut f{\"u}r Parallele und Verteilte Systeme, Simulation gro{\ss}er Systeme},
    abstract = {We present our approach for a scalable implementation of coupled soft matter
      simulations for inhomogeneous applications based on the simulation package
      ESPResSo and an extended version of the adaptive grid framework p4est. Our main
      contribution in this paper is the development and implementation of a joint
      partitioning of two or more distinct octree-based grids based on the concept of
      a finest common tree. This concept guarantees that, on all grids, the same
      process is responsible for each point in space and, thus, avoids communication
      of data in overlapping volumes handled in different partitions. We achieve up
      to 85 \% parallel efficiency in a weak scaling setting. Our proposed algorithms
      take only a small fraction of the overall runtime of grid adaption.},
    url = {http://www2.informatik.uni-stuttgart.de/cgi-bin/NCSTRL/NCSTRL_view.pl?id=INPROC-2018-50&engl=0}
 }

@inproceedings {INPROC-2017-71,
    author = {Carolin Schober and David Keerl and Martin Lehmann and Miriam Mehl},
    title = {{Simulating the Interaction of Electrostatically Charged Particles in the Inflow Area of Cabin Air Filters Using a Fully Coupled System}},
    booktitle = {Proceedings of the VII International Conference on Coupled Problems in Science and Engineering},
    address = {Barcelona, Spain},
    publisher = {CIMNE},
    institution = {Universit{\"a}t Stuttgart, Fakult{\"a}t Informatik, Elektrotechnik und Informationstechnik, Germany},
    pages = {77--88},
    type = {Konferenz-Beitrag},
    month = {Mai},
    year = {2017},
    language = {Englisch},
    cr-category = {J.2 Physical Sciences and Engineering},
    ee = {ftp://ftp.informatik.uni-stuttgart.de/pub/library/ncstrl.ustuttgart_fi/INPROC-2017-71/INPROC-2017-71.pdf},
    department = {Universit{\"a}t Stuttgart, Institut f{\"u}r Parallele und Verteilte Systeme, Simulation gro{\ss}er Systeme},
    abstract = {Cabin air filters are applied to prevent small particles such as pollen, fine
      dust and soot amongst others from being transferred into the interior (cabin)
      of a vehicle. The filter media often make use of the so called electret effect
      as means for achieving high filtration efficiency at low pressure drop.
      Thereby, electrostatic filtration effects are supplemented to the well-known
      mechanical collection mechanisms (such as inertia, diffusion,...). Besides the
      interference of several fiber-particle interactions (Coulombic
      attraction/repulsion, induced dipolar forces, image charge effects)
      particle-particle interactions potentially play an important role. However,
      this effect is completely neglected in previous research studies due to the
      high degree of complexity [1]. In this work, we present a detailed
      investigation of the particle behaviour in the inflow area and transition area
      to the filter media. For a precise description of the underlying physical
      procedures the simulation is based on a four-way coupling. This approach takes
      into account the reciprocal influence between the fluid flow and the particle
      motion as well as the interactions between single electrostatically charged
      particles. The software package ESPResSo [2] used in this work is based on a
      molecular dynamic approach and provides the advantage of efficient algorithms
      for the modelling of electrostatic interactions. In order to emulate the air
      flow, the molecular dynamic simulation is coupled with a Lattice-Boltzmann
      fluid. The presented talk focuses on the influence of the particle-particle
      interactions on the filtration performance. It is elaborated whether the fully
      coupled system is necessary in order to reflect reality more closely or the
      simulation can be simplified to reduce the degree of complexity and thus the
      computational costs.
      
      REFERENCES [1] S. Rief, A. Latz, A. Wiegmann, {\^a}€śComputer simulation of Air
      Filtration including electric surface charges in three-dimensional fibrous
      micro structures{\^a}€ť, Filtration 6.2, (2006). [2] A. Arnold, O. Lenz, S.
      Kesselheim, R. Weeber, F. Fahrenberger, D. Roehm, P. Ko{\AA}ˇovan and C. Holm,
      {\^a}€śESPResSo 3.1: Molecular Dynamic Software for Coarse-Grained Models{\^a}€ť,
      Lecture Notes in Computational Science and Engineering, (2013).},
    url = {http://www2.informatik.uni-stuttgart.de/cgi-bin/NCSTRL/NCSTRL_view.pl?id=INPROC-2017-71&engl=0}
 }