Publikationen

Prof. Dr. Johannes Grotendorst

Monografien

Hierarchical methods for dynamics in complex molecular systems : IAS Winter School, 5 - 9 March 2012, Forschungszentrum Jülich GmbH ; lecture notes / ed. by Johannes Grotendorst, Godehard Sutmann, Gerhard Gompper, Dominik Marx

Grotendorst, Johannes (2012)
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.

Zeitschriftenartikel

IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems

Grotendorst, Johannes (2012)
Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1. -. (2012). Seite: 104

Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P

Gutheil, Inge ; Berg, Tommy ; Grotendorst, Johannes (2012)
Journal of Mathematics and Systems Science. . 2 (2012), H. 4. Seite: 231 - 236
2159-5291

Supercomputer programmieren - ein besonderes Studienangebot in Jülich

Grotendorst, Johannes (2012)
Junge Wissenschaft. 27 (2012), H. 94. -. (2012). Seite: 12 - 14
0179-8529

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. (2004)
Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2. Seite: 101 - 128
0938-1279

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

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

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

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

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