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@BOOK{Sutmann:188877,
      key          = {188877},
      editor       = {Sutmann, Godehard and Grotendorst, Johannes and Gompper,
                      Gerhard and Marx, Dominik},
      title        = {{C}omputational {T}rends in {S}olvation and {T}ransport in
                      {L}iquids - {L}ecture {N}otes},
      volume       = {28},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2015-02178},
      isbn         = {978-3-95806-030-2},
      series       = {Schriften des Forschungszentrums Jülich. IAS Series},
      pages        = {vi, 614 S.},
      year         = {2015},
      abstract     = {The majority of chemical reactions including many important
                      industrial processes and virtually all biological activities
                      take place within a liquid environment. Solvents, of which
                      water is certainly the most important, are able to
                      “solvate” molecules, thereby transferring these as
                      “solutes” into the liquid state. Transport processes and
                      solute-solute interactions in the solvent are then
                      supporting structure formation, selforganization or chemical
                      reactions. Solvents are not only able to provide a liquid
                      phase for simple chemical reagents and the much more complex
                      proteins; they have the additional ability to wet extended
                      surfaces such as lipid membranes or metal electrodes,
                      thereby creating interfaces. An in-depth understanding of
                      solvation at a fundamental level of chemistry, physics and
                      engineering is essential to enable major advances in key
                      technologies for environmentally friendly technologies, e.g.
                      to reduce pollution, to increase energy efficiency or to
                      prevent corrosion to name but a few challenges to our modern
                      day society. In biophysics and life sciences, water is the
                      most important and dominant solvent, providing the basic
                      environment for the complexity of life. Therefore, an
                      understanding of solvation is crucial to unravel biological
                      function in a comprehensive way.The Lecture Notes contain
                      the current state-of-the-art methods to treat solvation and
                      transport on different levels of resolution. Topics include
                      ab initio methods, atomistic and mesoscale methods for
                      modeling accurately the solute-solvent interaction and an
                      efficient treatment of the solvent on a mesoscopic level.
                      Recent advances in mathematical techniques are introduced,
                      which are fundamental for efficient treatment of
                      solute-solvent systems. Recent trends and future directions
                      in computational science are addressed to provide a
                      perspective for software development and computer
                      architectures.},
      month         = {Mar},
      date          = {2015-03-23},
      organization  = {Jülich CECAM School "Computational
                       Trends in Solvation and Transport in
                       Liquids", Jülich (Germany), 23 Mar
                       2015 - 27 Mar 2015},
      cin          = {JSC / ICS-2},
      cid          = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)ICS-2-20110106},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511)},
      pid          = {G:(DE-HGF)POF3-511},
      typ          = {PUB:(DE-HGF)26 / PUB:(DE-HGF)3},
      urn          = {urn:nbn:de:0001-2015020300},
      url          = {https://juser.fz-juelich.de/record/188877},
}