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@ARTICLE{deJong:9523,
      author       = {de Jong, W.A. and Bylaska, E. and Govind, N. and Janssen,
                      C.L. and Kowalski, K. and Müller, T. and Nielsen, I.M.B.
                      and van Damm, J.J. and Veryazov, V. and Lindh, R.},
      title        = {{U}tilizing {H}igh {P}erformance {C}omputing for
                      {C}hemistry: {P}arallel {C}omputational {C}hemistry},
      journal      = {Physical Chemistry Chemical Physics},
      volume       = {12},
      issn         = {1463-9076},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {PreJuSER-9523},
      pages        = {6896 - 6920},
      year         = {2010},
      note         = {This work was done in part using EMSL, a national
                      scientific user facility sponsored by the Department of
                      Energy's Office of Biological and Environmental Research and
                      located at Pacific Northwest National Laboratory, operated
                      for the U.S. Department of Energy by Battelle under contract
                      DE-AC05-76RL01830. Part of the funding for this work was
                      provided by the Department of Energy Office of Basic Energy
                      Science. VV and RL thank the Swedish Research Council
                      directly and through the Linnaeus Center of Excellence on
                      Organizing Molecular Matter at Lund University, Sweden, for
                      financial support. CJ and IN acknowledge support from Sandia
                      National Laboratories, a multiprogram laboratory operated by
                      Sandia Corporation, a Lockheed Martin Company, for the
                      United States Department of Energy under contract
                      DE-AC04-94-AL85000. KK and EJB acknowledge support from the
                      Extreme Scale Computing Initiative, a Laboratory Directed
                      Research and Development Program at Pacific Northwest
                      National Laboratory. EJB acknowledges support from DOE ASCR
                      petascale tools program and he would like to thank Scott
                      Baden for his help in developing parallel algorithms. TM
                      acknowledges support by the John-von-Neumann Institute for
                      Computing at the Research Centre Julich.},
      abstract     = {Parallel hardware has become readily available to the
                      computational chemistry research community. This perspective
                      will review the current state of parallel computational
                      chemistry software utilizing high-performance parallel
                      computing platforms. Hardware and software trends and their
                      effect on quantum chemistry methodologies, algorithms, and
                      software development will also be discussed.},
      keywords     = {J (WoSType)},
      cin          = {JSC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {Scientific Computing (FUEK411) / 411 - Computational
                      Science and Mathematical Methods (POF2-411)},
      pid          = {G:(DE-Juel1)FUEK411 / G:(DE-HGF)POF2-411},
      shelfmark    = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
                      Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:20532308},
      UT           = {WOS:000279098300001},
      doi          = {10.1039/c002859b},
      url          = {https://juser.fz-juelich.de/record/9523},
}