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Johannes Grotendorst's publications

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Entwicklung von Verbrennungstechnologien im CEC für klimaschonende Energieerzeugung - Projekt 1J:„Grundlagen - High Performance Computing von Gasturbinenverbrennungssystemen auf Hochleistungscomputern“, BMWi-Forschungsvorhaben 03ET7011J, Abschlussbericht
Jülich : JSC 18 p. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Retrospective of International Jülich CECAM School on Computational Trends in Solvation and Transport in Liquids
Innovatives Supercomputing in Deutschland 13(1), 110-111 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Computational Trends in Solvation and Transport in Liquids - Lecture Notes
Jülich CECAM School "Computational Trends in Solvation and Transport in Liquids", STL 2015, JülichJülich, Germany, 23 Mar 2015 - 27 Mar 20152015-03-232015-03-27 Jülich : Forschungszentrum Jülich, Zentralbibliothek, IAS Series 28, vi, 614 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Jülich School on Computational Trends in Solvation and Transport in Liquids
Innovatives Supercomputing in Deutschland 12(2), 95-96 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Numerics of the Generalized Lambert W Function
ACM Communications in computer algebra 48(188), 42–56 () [10.1145/2644288.2644298]  Download fulltext Files  Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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Performance of Dense Eigensolvers on BlueGene/Q
Parallel Processing and Applied Mathematics
Parallel Processing and Applied Mathematics 2013, PPAM, WarschauWarschau, Polen, 8 Sep 2013 - 11 Sep 20132013-09-082013-09-11
Berlin, Heidelberg : Springer Berlin Heidelberg, Lecture Notes in Computer Science 8384, 26 - 35 () [10.1007/978-3-642-55224-3_3] BibTeX | EndNote: XML, Text | RIS

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HPC for Climate-friendly Power Generation
Innovatives Supercomputing in Deutschland 12(1), 70-71 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Asymptotic Series of Generalized Lambert W Function
ACM Communications in computer algebra 47(185), 75 - 83 ()  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Blue Gene/P: JUGENE
Contemporary High Performance Computing : From Petascale toward Exascale Boca Raton, FL, USA : CRC Press, Taylor & Francis Group, Computational Science Series 153-188 ()  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Hierarchical Methods for Dynamics in Complex Molecular Systems
Jülich : Forschungszentrum, Schriften des Forschungszentrums Jülich : IAS Series 10, 540 pp. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems
Innovatives Supercomputing in Deutschland: inSiDE 10(1), 104 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Supercomputer programmieren - ein besonderes Studienangebot in Jülich
Junge Wissenschaft 94 (27), 12-13 () BibTeX | EndNote: XML, Text | RIS

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Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P
Journal of Mathematics and System Science 2, 231 - 236 () BibTeX | EndNote: XML, Text | RIS

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Winter School on Hierarchical Methods for Dynamics in Complex Molecular Systems
Innovatives Supercomputing in Deutschland: inSiDE 9(2), 86 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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On calculating the rate of linear convergence of non-linear transformed sequences
Proceedings of the 4th International Workshop on Symbolic-Numeric Computation, M. Moreno Maza (Ed.), ACM, ACM Digital Library, 2011, 978-1-4503-0515-0, S. 24 - 33 BibTeX | EndNote: XML, Text | RIS

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Multiscale Simulation Methods in Molecular Sciences - Lecture Notes
Jülich : John von Neumann-Institut für Computing, NIC Series 42, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques
Journal of Chemical Information and Modeling 47, 92 - 103 () [10.1021/ci6002619] BibTeX | EndNote: XML, Text | RIS

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New Approach for the Electronic Energies of the Hydrogen Molecular Ion
Chemical physics 324, () [10.1016/j.chemphys.2005.10.031] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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GALA Grünenthal Applied Life Science Analysis
Jülich : John von Neumann-Institut für Computing, NIC-series 30, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques
Jülich : Forschungszentrum Jülich, Zentralinstitut für Angewandte Mathematik ()  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Computational Nanoscience: Do It Yourself! ; NIC Winter School, 14 - 22 February 2006, Forschungszentrum Jülich, Germany - Lecture Notes
Jülich : FZJ, John von Neumann Institute for Computing, NIC series 31, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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New Approach for the Electronic Energies of the Hydrogen Molecular Ion
Jülich : Forschungszentrum, Zentralinstitut für Angewandte Mathematik () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function
Jülich : Forschungszentrum, Zentralinstitut für Angewandte Mathematik () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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High Performance Computing in Chemistry
Jülich : FZJ, John von Neumann Institute for Computing, NIC series 25, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Asymptotically Exact Calculation of the Exchange Energies of One-Active-Electron Diatomic Ions with the Surface Integral Method
Journal of physics / B 37, 4451 - 4469 () [10.1088/0953-4075/37/22/005] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Exchange Energy for Two-Active-Electron Diatomic Systems Within the Surface Integral Method
Applicable algebra in engineering, communication and computing 15, 101 - 128 () [10.1007/s00200-004-0156-6] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Data Mining in F & E
Bio world 9, 22 - 23 () BibTeX | EndNote: XML, Text | RIS

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Computermathematik mit Maple
Jülich : Forschungszentrum, Zentralbibliothek, Schriften des Forschungszentrums Jülich . Informationstechnik / Information Technology 5, () BibTeX | EndNote: XML, Text | RIS

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Asymptotically Exact Calculation of the Exchange Energies of One-Active-Electron Diatomic Ions with the Surface Integral Method
Jülich : Forschungszentrum, Zentralinstitut für Angewandte Mathematik () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Data Mining in der pharmazeutischen Forschung und Entwicklung
Laboratory IT user service: LITUS 1, 20 - 21 () BibTeX | EndNote: XML, Text | RIS

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Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method
Jülich : Forschungszentrum, Zentralinstitut für Angewandte Mathematik () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Computermathematik mit Maple
Jülich : Forschungszentrum Jülich, Zentralbibliothek, Schriften des Forschungszentrums Jülich . Reihe Informationstechnik / Information Technology 4, () BibTeX | EndNote: XML, Text | RIS

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Quantum simulations of complex many-body systems : from theory to algorithms, audio-visual lecture notes : winter school, 25 February - 1 March 2002, Rolduc Conference Centre, Kerkrade, The Netherlands (DVD)
Jülich : John von Neumann Institute for Computing, NIC series 14, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Quantum simulations of complex many-body systems : from theory to algorithms, poster presentations ; winter school, 25 February - 1 March 2002, Rolduc Conference Centre, Kerkrade, The Netherlands
Jülich : John von Neumann Institute for Computing, NIC series 11, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Quantum simulations of complex many-body systems : from theory to algorithms, lecture notes ; winter school, 25 February - 1 March 2002, Rolduc Conference Centre, Kerkrade, The Netherlands
Jülich : John von Neumann Institute for Computing, NIC series 10, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Computermathematik mit Maple
Jülich : Forschungszentrum, Zentralinstitut für Angewandte Mathematik () BibTeX | EndNote: XML, Text | RIS

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Mathematik mit Maple - Eine Einführung mit Beispielen aus der Analysis, Linearen Algebra und Numerik
Jülich : Zentralinstitut für Angewandte Mathematik i, 141 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Modern methods and algorithms of quantum chemistry : winterschool 21. - 25. February 2000 Forschungszentrum Jülich poster presentations / org. by John von Neumann Institute for Computing
Jülich : John von Neumann Institute for Computing, NIC series 2, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Modern methods and algorithms of quantum chemistry : winterschool 21. - 25. February 2000 Forschungszentrum Jülich : proceedings / org. by John von Neumann Institute for Computing
Jülich : John von Neumann Institute for Computing, NIC series 1, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Modern methods and algorithms of quantum chemistry : winterschool 21. - 25. February 2000 Forschungszentrum Jülich : proceedings / org. by John von Neumann Institute for Computing
Jülich : John von Neumann Institute for Computing, NIC series 3, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular dynamics on parallel computers : Workshop on Molecular Dynamics on Parallel Computers : John von Neumann Institute for Computing Research Centre Jülich 8. - 10 Febr. 1999
Singapore : World Scientific () BibTeX | EndNote: XML, Text | RIS

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Computer-aided modelling and simulation of the thermodynamics of the steam reforming
Mathematics and computers in simulation 51, 451 - 471 () [10.1016/S0378-4754(99)00136-6] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Performance of Parallel Symmetric Eigensolvers in Quantum Chemistry Codes on Cray T3E
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 23, p. 23, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3
Seminar, JülichJülich, 21 Feb 20002000-02-21
Jülich : John von Neumann Institute for Computing, NIC series 2, 23 pp. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Gekoppelte SMP-Systeme im wissenschaftlich-technischen Hochleistungsrechnen - Status und Entwicklungsbedarf (GoSMP)
10 p. ()   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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Mathematik mit Maple - Eine Einführung mit Beispielen aus der Analysis und Linearen Algebra
Jülich : Zentralinstitut für Angewandte Mathematik ii, 111 S. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Höchstleistungsrechnen in der Chemie
Höchstleistungsrechnen in der Chemie, JülichJülich, Germany, 16 Feb 1998 - 18 Feb 19981998-02-161998-02-18 Jülich : Forschungszentrum Jülich, Zentralinstitut für Angewandte Mathematik () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Ethanol Transport in Zymomonas mobilis Measured by Using in Vivo Nuclear Magnetic Resonance Spin Transfer
Journal of bacteriology 178, 1756-1761 () BibTeX | EndNote: XML, Text | RIS

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Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor
MapleTech 2(1), 59-66 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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In-vivo NMR Spectroscopy to Study Transmembrane Diffusion of Ethanol in the Bacterium Zymomonas Mobilis
Proceedings of the 12th European Experimental NMR Conference
12th European Experimental NMR Conference, EENC'94, OuluOulu, Finland, 5 Jun 1994 - 10 Jun 19941994-06-051994-06-10
Oulu : University of Oulu S. 43 () BibTeX | EndNote: XML, Text | RIS

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Symbolic-Numeric Computations for Problem-Solving in Physical Chemistry and Biochemistry
Maple V: Mathematics and its Applications / Lopez, Robert J. (Editor) ; Boston, MA : Birkhäuser Boston, 1994, Chapter 16 ; ISBN: 978-0-8176-3791-0 ; doi:10.1007/978-1-4612-0263-9
Maple Summer Workshop and Symposium 1994, MSWS'94, Troy, NYTroy, NY, USA, 9 Aug 1994 - 13 Aug 19941994-08-091994-08-13
Boston, MA : Birkhäuser Boston 131-140 () [10.1007/978-1-4612-0263-9_16] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Calculation of Chemical Equilibrium Compositions
Jülich : Zentralinstitut für Angewandte Mathematik 9 p. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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On Solving the McConnell Equations in Biochemistry
MapleTech 1(1), 56-62 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Algorithms of mixed symbolic-numeric type for rational approximation
Artificial Intelligence, Expert Systems and Symbolic Computing
13th IMACS World Congress on Computation and Applied Mathematics, DublinDublin, Ireland, 22 Jul 1991 - 26 Jul 19911991-07-221991-07-26
Amsterdam : Elsevier Science Publishers 145-154 () BibTeX | EndNote: XML, Text | RIS

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A Maple package for transforming series, sequences and functions
Computer physics communications 67(2), 325 - 342 () [10.1016/0010-4655(91)90026-H] BibTeX | EndNote: XML, Text | RIS

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TRANS: A Maple Package for Transforming Series, Sequences and Functions
Proceedings of the 13th IMACS World Congress on Computation and Applied Mathematics
13th IMACS World Congress on Computation and Applied Mathematics, DublinDublin, Ireland, 22 Jul 1990 - 26 Jul 19901990-07-221990-07-26
95-97 () BibTeX | EndNote: XML, Text | RIS

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Approximating functions by means of symbolic computation and a general extrapolation method
Computer physics communications 59(2), 289 - 301 () [10.1016/0010-4655(90)90178-4]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Maple programs for converting series expansions to rational functions using the Levin transformation automatic generation of FORTRAN functions for numerical applications
Computer physics communications 55(3), 325 - 335 () [10.1016/0010-4655(89)90130-6] BibTeX | EndNote: XML, Text | RIS