@article{GutheilBergGrotendorst2012,
  author    = {Gutheil, Inge and Berg, Tommy and Grotendorst, Johannes},
  title     = {Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P},
  series = {Journal of Mathematics and Systems Science},
  volume    = {2},
  journal   = {Journal of Mathematics and Systems Science},
  number    = {4},
  publisher = {David Publishing},
  address   = {Libertyville},
  issn      = {2159-5291},
  doi       = {10.17265/2159-5291/2012.04.003},
  pages     = {231 -- 236},
  year      = {2012},
  abstract  = {Many applications in computational science and engineering require the computation of eigenvalues and vectors of dense symmetric or Hermitian matrices. For example, in DFT (density functional theory) calculations on modern supercomputers 10\% to 30\% of the eigenvalues and eigenvectors of huge dense matrices have to be calculated. Therefore, performance and parallel scaling of the used eigensolvers is of upmost interest. In this article different routines of the linear algebra packages ScaLAPACK and Elemental for parallel solution of the symmetric eigenvalue problem are compared concerning their performance on the BlueGene/P supercomputer. Parameters for performance optimization are adjusted for the different data distribution methods used in the two libraries. It is found that for all test cases the new library Elemental which uses a two-dimensional element by element distribution of the matrices to the processors shows better performance than the old ScaLAPACK library which uses a block-cyclic distribution.},
  language  = {en}
}
@article{GrotendorstShuangRenHalling1996,
  author    = {Grotendorst, Johannes and Shuang-Ren, Zhao and Halling, Horst},
  title     = {Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor / Shuang-Ren, Zhao ; Grotendorst, Johannes ; Halling, Horst},
  series = {MapleTech . 2 (1996), H. 1},
  journal   = {MapleTech . 2 (1996), H. 1},
  isbn      = {1061-5733},
  pages     = {59 -- 66},
  year      = {1996},
  language  = {en}
}
@book{GrotendorstScottMannetal.2005,
  author    = {Grotendorst, Johannes and Scott, Tony C. and Mann, Robert and Martinez Il, Roberto E.},
  title     = {General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function / Scott, Tony C. ; Mann, Robert ; Martinez Il, Roberto E. ; Grotendorst, Johannes},
  address   = {J{\"u}lich},
  pages     = {15 S.},
  year      = {2005},
  language  = {en}
}
@article{GrotendorstScottAubertFreconetal.2004,
  author    = {Grotendorst, Johannes and Scott, Tony C. and Aubert-Fr{\´e}con, Monique and Hadinger, Gis{\`e}le},
  title     = {Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method / Scott, Tony C. ; Aubert-Fr{\´e}con, Monique ; Hadinger, Gis{\`e}le ; Andrae, Dirk ; Grotendorst, Johannes ; Morgan Ill, John D.},
  series = {Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22},
  journal   = {Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22},
  isbn      = {0953-4075},
  pages     = {4451 -- 4469},
  year      = {2004},
  language  = {en}
}
@article{GrotendorstScottAubertFreconetal.2004,
  author    = {Grotendorst, Johannes and Scott, Tony C. and Aubert-Fr{\´e}con, Monique and Andrae, D.},
  title     = {Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method / Scott,T. C .; Aubert-Fr{\´e}con, M. ; Andrae, D. ; Grotendorst, J. ; Morgan III, J. D. ; Glasser, M. L.},
  series = {Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2},
  journal   = {Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2},
  isbn      = {0938-1279},
  pages     = {101 -- 128},
  year      = {2004},
  language  = {en}
}
@article{GrotendorstScottAubertFrecon2006,
  author    = {Grotendorst, Johannes and Scott, Tony C. and Aubert-Fr{\´e}con, Monique},
  title     = {New Approach for the Electronic Energies of the Hydrogen Molecular Ion / Scott, Tony C. ; Aubert-Fr{\´e}con, Monique ; Grotendorst, Johannes},
  series = {Chemical Physics. 324 (2006), H. 2/3},
  journal   = {Chemical Physics. 324 (2006), H. 2/3},
  isbn      = {0301-0104},
  pages     = {323 -- 338},
  year      = {2006},
  language  = {en}
}
@article{GrotendorstSchoberthChapmanetal.1996,
  author    = {Grotendorst, Johannes and Schoberth, S. M. and Chapman, B. E. and Kuchel, P. W.},
  title     = {Ethanol Transport in Zymomonas mobilis Measured by Using in Vivo Nuclear Magnetic Resonance Spin Transfer / Schoberth, S. M. ; Chapman, B. E. ; Kuchel, P. W. ; Wittig, R. M. ; Grotendorst, Johannes ; Jansen, Paul ; Graaf, A. A. de},
  series = {Journal of Bacteriology. 178 (1996), H. 6},
  journal   = {Journal of Bacteriology. 178 (1996), H. 6},
  isbn      = {0021-9193},
  pages     = {1756 -- 1761},
  year      = {1996},
  language  = {en}
}
@article{GrotendorstKlessEitrich2004,
  author    = {Grotendorst, Johannes and Kless, A. and Eitrich, T.},
  title     = {Data Mining in F \& E / Kless, A. ; Eitrich, T. ; Meyer, W. ; Grotendorst, J.},
  series = {BioWorld: Magazin f{\"u}r Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2},
  journal   = {BioWorld: Magazin f{\"u}r Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2},
  isbn      = {1424-8514},
  pages     = {22 -- 23},
  year      = {2004},
  language  = {en}
}
@article{GrotendorstKlessDickhausetal.2004,
  author    = {Grotendorst, Johannes and Kless, A. and Dickhaus, T. and Meyer, W.},
  title     = {Data Mining in der pharmazeutischen Forschung und Entwicklung / Kless, A. ; Dickhaus, T. ; Meyer, W. ; Grotendorst, J.},
  series = {LITUS - Laboratory IT User Service. 1 (2004)},
  journal   = {LITUS - Laboratory IT User Service. 1 (2004)},
  pages     = {20 -- 21},
  year      = {2004},
  language  = {en}
}
@article{GrotendorstJansenSchoberth1993,
  author    = {Grotendorst, Johannes and Jansen, Paul and Schoberth, Siegfried},
  title     = {On Solving the McConnell Equations in Biochemistry / Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried},
  series = {MapleTech. 1 (1993)},
  journal   = {MapleTech. 1 (1993)},
  isbn      = {1061-5733},
  pages     = {56 -- 62},
  year      = {1993},
  language  = {en}
}