Publikationen
Prof. Dr. Johannes Grotendorst
Monographies
Hierarchical methods for dynamics in complex molecular systems
Grotendorst, Johannes (2012)
Schriften des Forschungszentrums Jülich IAS Series 10. Jülich : Forschungszentrum Jülich 2012. - VI, 540 S. zahlr. Ill. u. graph. Darst.
978-3-89336-768-9
61 UHK 12
Multiscale Simulation Methods in Molecular Sciences : Institute for Advanced Simulation (IAS) ; winter school, 2 - 6 March 2009, Forschungszentrum Jülich, Germany ; lecture notes
Grotendorst, Johannes (2009)
Jülich 2009. - 576 S. : graph. Darst.
978-3-9810843-8-2
61 TZE 20
Computational Nanoscience: Do it yourself! : winter school, 14 - 22 February 2006, Forschungszentrum Jülich, Germany ; lecture notes / Grotendorst, Johannes
Grotendorst, Johannes (2006)
Jülich : NIC 2006. - V, 527 S. : Ill., graph. Darst.
3-00-017350-1
61 TZE 22
GALA - Grünenthal Applied Life Science Analysis : Bericht ; [Projektdokumentation] / John von Neumann-Institut für Computing (NIC); Zentralinstitut für Angewandte Mathematik. Achim Kless und Johannes Grotendorst (Hrsg.)
Grotendorst, Johannes (2006)
Jülich : NIC 2006. - IV, 204 S : graph. Darst.
3-00-017349-8
General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function / Scott, Tony C. ; Mann, Robert ; Martinez Il, Roberto E. ; Grotendorst, Johannes
Grotendorst, Johannes ; Scott, Tony C. ; Mann, Robert ; Martinez Il, Roberto E. (2005)
Jülich 2005. - 15 S.
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
Grotendorst, Johannes (2004)
Jülich : NIC 2004. - IV, 149 S. : graph. Darst.
3-00-013618-5
ComputerMathematik mit Maple
Grotendorst, Johannes (2003)
Jülich : Forschungszentrum Jülich 2003. - VI, 274 S. : Ill., graph. Darst.
3-89336-325-4
61 TZC 55
ComputerMathematik mit Maple / 2. Aufl.
Grotendorst, Johannes (2003)
Jülich : Forschungszentrum Jülich 2003. - VI, 293 S. : graph. Darst. + 1 CD-ROM
3-89336-354-8
Quantum simulations of complex many body systems/<1>
Grotendorst, Johannes (2002)
Jülich : Forschungszentrum Jülich 2002. - V, 548 S. : graph. Darst.
3-00-009057-6
61 TKM 6
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
Grotendorst, Johannes (2002)
Jülich : NIC 2002.
3-00-009058-4
Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, Audio-Visual Lecture Notes / Grotendorst, Johannes [Ed.]
Grotendorst, Johannes (2002)
Jülich : NIC 2002. - DVD
3-00-010000-8
Workshop on Molecular Dynamics on Parallel Computers John von Neumann Institute for Computing (NIC), Research Centre Jülich, Germany 8 - 10 February 1999
Grotendorst, Johannes (2000)
Singapore : World Scientific 2000. - XI, 379 S. : Ill., graph. Darst.
981-02-4232-8
61 TWI 10
Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum Jülich, Germany ; proceedings / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ... 2. ed.
Grotendorst, Johannes (2000)
Jülich : NIC 2000. - IV, 638 S. : graph. Darst.
3-00-005834-6
61 TZE 21(2)
Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum Jülich, Germany ; proceedings / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ...
Grotendorst, Johannes (2000)
Jülich : NIC 2000. - IV, 562 S.
3-00-005618-1
Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum Jülich, Germany ; Poster Presentations / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ...
Grotendorst, Johannes (2000)
Jülich : NIC 2000. - 77 S.
3-00-005746-3
Gekoppelte SMP-Systeme im wissenschaftlich-technischen Hochleistungsrechnen - Status und Entwicklungsbedarf : Analyse im Auftrag des BMBF / Federführung: Zentralinstitut für Angewandte Mathematik, Forschungszentrum Jülich GmbH ... Ansprechpartner: F. Hoßfeld
Grotendorst, Johannes (1999)
Jülich : Zentralinstitut für Angewandte Mathematik 1999. - 110 S.
Höchstleistungsrechnen in der Chemie / Esser, Rüdiger ; Grotendorst, Johannes ; Lewerenz, Marius [Eds.]
Grotendorst, Johannes (1998)
1998.
Calculation of Chemical Equilibrium Compositions : Interner Bericht
Grotendorst, Johannes (1994)
Jülich : Forschungszentrum Jülich 1994. - 11 S.
Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, Jürgen ; Schoberth, Siegfried M.
Grotendorst, Johannes ; Dornseiffer, Jürgen ; Schoberth, Siegfried M. (1994)
Jülich : ZAM, KFA 1994. - 9 S.
Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, Jürgen ; Schoberth, Siegfried M.
Grotendorst, Johannes ; Dornseiffer, Jürgen ; Schoberth, Siegfried M. (1994)
Jülich : ZAM, KFA 1994. - 9 S.
Magazine article
Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P
Gutheil, Inge ; Berg, Tommy ; Grotendorst, Johannes (2012)
Journal of Mathematics and Systems Science. Libertyville : David Publishing. 2 (2012), H. 4. Seite: 231 - 236
2159-5291
Supercomputer programmieren - ein besonderes Studienangebot in Jülich
Grotendorst, Johannes (2012)
Junge Wissenschaft. Düsseldorf : Verlag Junge Wissenschaft. 27 (2012), H. 94. Seite: 12 - 14
0179-8529
IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems
Grotendorst, Johannes (2012)
Innovatives Supercomputing in Deutschland : inSiDE. Stuttgart : HLRS. 10 (2012). Seite: 104 - 1
On calculating the rate of linear convergence of non-linear transformed sequences
Grotendorst, Johannes (2011)
Proceeding SNC '11 Proceedings of the 2011 International Workshop on Symbolic-Numeric Computation. New York, NY : ACM. (2011). Seite: 24 - 33
978-1-4503-0515-0
Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques / Eitrich, T. ; Kless, A. ; Druska, C. ; Meyer, W. ; Grotendorst J.
Grotendorst, Johannes ; Eitrich, T. ; Kless, A. ; Druska, C. (2007)
Journal of Chemical Information and Modeling. 47 (2007), H. 1. Seite: 92 - 103
1549-9596
New Approach for the Electronic Energies of the Hydrogen Molecular Ion / Scott, Tony C. ; Aubert-Frécon, Monique ; Grotendorst, Johannes
Grotendorst, Johannes ; Scott, Tony C. ; Aubert-Frécon, Monique (2006)
Chemical Physics. 324 (2006), H. 2/3. Seite: 323 - 338
0301-0104
Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method / Scott, Tony C. ; Aubert-Frécon, Monique ; Hadinger, Gisèle ; Andrae, Dirk ; Grotendorst, Johannes ; Morgan Ill, John D.
Grotendorst, Johannes ; Scott, Tony C. ; Aubert-Frécon, Monique ; Hadinger, Gisèle (2004)
Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22. Seite: 4451 - 4469
0953-4075
Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method / Scott,T. C .; Aubert-Frécon, M. ; Andrae, D. ; Grotendorst, J. ; Morgan III, J. D. ; Glasser, M. L.
Grotendorst, Johannes ; Scott, Tony C. ; Aubert-Frécon, Monique ; Andrae, D. ; Morgan III, J. D. ; Glasser, M. L. (2004)
Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2. Seite: 101 - 128
0938-1279
zugl. Technical Report FZJ-ZAM-IB-2004-02, April 2004, 24 pages
Data Mining in der pharmazeutischen Forschung und Entwicklung / Kless, A. ; Dickhaus, T. ; Meyer, W. ; Grotendorst, J.
Grotendorst, Johannes ; Kless, A. ; Dickhaus, T. ; Meyer, W. (2004)
LITUS - Laboratory IT User Service. 1 (2004). Seite: 20 - 21
Data Mining in F & E / Kless, A. ; Eitrich, T. ; Meyer, W. ; Grotendorst, J.
Grotendorst, Johannes ; Kless, A. ; Eitrich, T. (2004)
BioWorld: Magazin für Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2. Seite: 22 - 23
1424-8514
Computer-aided Modelling and Simulation of the Thermodynamics of Steam Reforming / Grotendorst, Johannes ; Dornseiffer, Jürgen
Grotendorst, Johannes ; Dornseiffer, Jürgen (2000)
Mathematics and Computers in Simulation. 51 (2000), H. 5. Seite: 451 - 471
0378-4754
Technical Report FZJ-ZAM-IB-9812, August 1998
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
Grotendorst, Johannes ; Schoberth, S. M. ; Chapman, B. E. ; Kuchel, P. W. (1996)
Journal of Bacteriology. 178 (1996), H. 6. Seite: 1756 - 1761
0021-9193
Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor / Shuang-Ren, Zhao ; Grotendorst, Johannes ; Halling, Horst
Grotendorst, Johannes ; Shuang-Ren, Zhao ; Halling, Horst (1996)
MapleTech . 2 (1996), H. 1. Seite: 59 - 66
1061-5733
zugl. Technical Report KFA-ZAM-IB-9511 ; The Maple Technical Newsletters
On Solving the McConnell Equations in Biochemistry / Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried
Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried (1993)
MapleTech. 1 (1993). Seite: 56 - 62
1061-5733
zgl. Technical Report KFA-ZAM-IB-9314 ; The Maple Technical Newsletter
Algorithms of mixed symbolic-numeric type for rational approximation
Grotendorst, Johannes (1992)
Artificial intelligence, expert systems and symbolic computing : selected and revised papers from the IMACS 13th World Congress [on Computation and Applied Mathematics], Dublin, Ireland, July 1991 / ed. by Elias N. Houstis .... Amsterdam : North-Holland. (1992). - XII, 458 S. : graph. Darst.Seite: 145 - 154
0-444-89703-8
zgl. Technical Report KFA-ZAM-IB-9205 ; World Congress on Computation and Applied Mathematics <13, 1991, Dublin> ; International Association for Mathematics and Computers in Simulation
Maple programs for converting series expansions to rational functions using the Levin transformation automatic generation of FORTRAN functions for numerical applications
Grotendorst, Johannes (1991)
Computer Physics Communications. 55 (1991), H. 3. Seite: 325 - 335
0010-4655
A Maple package for transforming series, sequences and functions
Grotendorst, Johannes (1991)
Computer Physics Communications. 67 (1991), H. 2. Seite: 325 - 342
0010-4655
Approximating functions by means of symbolic computation and a general extrapolation method
Grotendorst, Johannes (1990)
Computer Physics Communications. 59 (1990), H. 2. Seite: 289 - 301
0010-4655