@book{Grotendorst2000,
  author    = {Grotendorst, Johannes},
  title     = {Workshop on Molecular Dynamics on Parallel Computers John von Neumann Institute for Computing (NIC), Research Centre J{\"u}lich, Germany 8 - 10 February 1999},
  publisher = {World Scientific},
  address   = {Singapore},
  isbn      = {981-02-4232-8},
  pages     = {XI, 379 S. : Ill., graph. Darst.},
  year      = {2000},
  language  = {en}
}
@book{GrotendorstDornseifferSchoberth1994,
  author    = {Grotendorst, Johannes and Dornseiffer, J{\"u}rgen and Schoberth, Siegfried M.},
  title     = {Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, J{\"u}rgen ; Schoberth, Siegfried M.},
  publisher = {ZAM, KFA},
  address   = {J{\"u}lich},
  pages     = {9 S.},
  year      = {1994},
  language  = {en}
}
@book{GrotendorstDornseifferSchoberth1994,
  author    = {Grotendorst, Johannes and Dornseiffer, J{\"u}rgen and Schoberth, Siegfried M.},
  title     = {Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, J{\"u}rgen ; Schoberth, Siegfried M.},
  publisher = {ZAM, KFA},
  address   = {J{\"u}lich},
  pages     = {9 S.},
  year      = {1994},
  language  = {en}
}
@book{Grotendorst2002,
  author    = {Grotendorst, Johannes},
  title     = {Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, Audio-Visual Lecture Notes / Grotendorst, Johannes [Ed.]},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-010000-8},
  pages     = {DVD},
  year      = {2002},
  language  = {en}
}
@book{Grotendorst2002,
  author    = {Grotendorst, Johannes},
  title     = {Quantum simulations of complex many-body systems: from theory to algorithms : winter school, 25 February - 1 March 2002, Rolduc Conference Centre, Kerkrade, the Netherlands ; poster presentations / ed. by Johannes Grotendorst},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-009058-4},
  year      = {2002},
  language  = {en}
}
@book{Grotendorst2002,
  author    = {Grotendorst, Johannes},
  title     = {Quantum simulations of complex many body systems/<1>},
  publisher = {Forschungszentrum J{\"u}lich},
  address   = {J{\"u}lich},
  isbn      = {3-00-009057-6},
  pages     = {V, 548 S. : graph. Darst.},
  year      = {2002},
  language  = {en}
}
@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{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}
}
@article{Grotendorst2011,
  author    = {Grotendorst, Johannes},
  title     = {On calculating the rate of linear convergence of non-linear transformed sequences},
  series = {Proceeding SNC '11 Proceedings of the 2011 International Workshop on Symbolic-Numeric Computation},
  journal   = {Proceeding SNC '11 Proceedings of the 2011 International Workshop on Symbolic-Numeric Computation},
  publisher = {ACM},
  address   = {New York, NY},
  isbn      = {978-1-4503-0515-0},
  pages     = {24 -- 33},
  year      = {2011},
  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}
}
@book{Grotendorst2009,
  author    = {Grotendorst, Johannes},
  title     = {Multiscale Simulation Methods in Molecular Sciences : Institute for Advanced Simulation (IAS) ; winter school, 2 - 6 March 2009, Forschungszentrum J{\"u}lich, Germany ; lecture notes},
  address   = {J{\"u}lich},
  isbn      = {978-3-9810843-8-2},
  pages     = {576 S. : graph. Darst.},
  year      = {2009},
  language  = {en}
}
@book{Grotendorst2000,
  author    = {Grotendorst, Johannes},
  title     = {Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum J{\"u}lich, Germany ; proceedings / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ... 2. ed.},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-005834-6},
  pages     = {IV, 638 S. : graph. Darst.},
  year      = {2000},
  language  = {en}
}
@book{Grotendorst2000,
  author    = {Grotendorst, Johannes},
  title     = {Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum J{\"u}lich, Germany ; proceedings / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ...},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-005618-1},
  pages     = {IV, 562 S.},
  year      = {2000},
  language  = {en}
}
@book{Grotendorst2000,
  author    = {Grotendorst, Johannes},
  title     = {Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum J{\"u}lich, Germany ; Poster Presentations / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ...},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-005746-3},
  pages     = {77 S.},
  year      = {2000},
  language  = {en}
}
@article{Grotendorst1991,
  author    = {Grotendorst, Johannes},
  title     = {Maple programs for converting series expansions to rational functions using the Levin transformation automatic generation of FORTRAN functions for numerical applications},
  series = {Computer Physics Communications. 55 (1991), H. 3},
  journal   = {Computer Physics Communications. 55 (1991), H. 3},
  isbn      = {0010-4655},
  pages     = {325 -- 335},
  year      = {1991},
  language  = {en}
}
@article{Grotendorst2012,
  author    = {Grotendorst, Johannes},
  title     = {IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems},
  series = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1},
  journal   = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1},
  publisher = {-},
  pages     = {104},
  year      = {2012},
  language  = {en}
}
@book{Grotendorst2004,
  author    = {Grotendorst, Johannes},
  title     = {High performance computing in chemistry : report of the joint research project: High Performance Computing in Chemistry - HPC-Chem ; funded by the Federal Ministry for Education and Research (BMBF) ; period: 1 March 2001 - 29 February 2004 / ed. by Johannes Grotendorst},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-013618-5},
  pages     = {IV, 149 S. : graph. Darst.},
  year      = {2004},
  language  = {en}
}
@book{Grotendorst2012,
  author    = {Grotendorst, Johannes},
  title     = {Hierarchical methods for dynamics in complex molecular systems : IAS Winter School, 5 - 9 March 2012, Forschungszentrum J{\"u}lich GmbH ; lecture notes / ed. by Johannes Grotendorst, Godehard Sutmann, Gerhard Gompper, Dominik Marx},
  publisher = {Forschungszentrum J{\"u}lich},
  address   = {J{\"u}lich},
  isbn      = {978-3-89336-768-9},
  pages     = {VI, 540 S. zahlr. Ill. u. graph. Darst.},
  year      = {2012},
  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}
}
@book{Grotendorst2006,
  author    = {Grotendorst, Johannes},
  title     = {GALA - Gr{\"u}nenthal Applied Life Science Analysis : Bericht ; [Projektdokumentation] / John von Neumann-Institut f{\"u}r Computing (NIC); Zentralinstitut f{\"u}r Angewandte Mathematik. Achim Kless und Johannes Grotendorst (Hrsg.)},
  publisher = {NIC},
  address   = {J{\"u}lich},
  isbn      = {3-00-017349-8},
  pages     = {IV, 204 S : graph. Darst.},
  year      = {2006},
  language  = {en}
}