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Johannes Grotendorst's publications

Journal Article
; ;
HPC for Climate-friendly Power Generation
Innovatives Supercomputing in Deutschland 12(1), 70-71 (2014)  GO

Contribution to a conference proceedings/Contribution to a book
; ;
Performance of Dense Eigensolvers on BlueGene/Q
Parallel Processing and Applied Mathematics
Parallel Processing and Applied Mathematics 2013, PPAM, Warschau, Polen, 09/08/2013 - 09/11/2013
Lecture Notes in Computer Science 8384, 26 - 35 (2014) [10.1007/978-3-642-55224-3_3]  GO

Journal Article
; ;
Asymptotic Series of Generalized Lambert W Function
ACM Communications in computer algebra 47(185), 75 - 83 (2013)  GO

Contribution to a book
; ; ; ; ; ; ; ; ; ; ; ; ;
Blue Gene/P: JUGENE
Contemporary High Performance Computing : From Petascale toward Exascale Computational Science Series 153-188 (2013)

Journal Article

IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems
Innovatives Supercomputing in Deutschland: inSiDE 10(1), 104 (2012)  GO

Journal Article

Supercomputer programmieren - ein besonderes Studienangebot in Jülich
Junge Wissenschaft 94 (27), 12-13 (2012)  GO

Journal Article
; ;
Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P
Journal of Mathematics and System Science 2, 231 - 236 (2012)  GO

Book
; ; ;
Hierarchical Methods for Dynamics in Complex Molecular Systems
Schriften des Forschungszentrums Jülich : IAS Series 10, 540 pp. (2012)

Journal Article

Winter School on Hierarchical Methods for Dynamics in Complex Molecular Systems
Innovatives Supercomputing in Deutschland: inSiDE 9(2), 86 (2011)  GO

Contribution to a conference proceedings/Contribution to a Book

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 (2011) [10.1145/2331684.2331690]  GO

Book
; ; ;
Multiscale Simulation Methods in Molecular Sciences - Lecture Notes
NIC Series 42, (2009)

Journal Article
; ; ; ;
Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques
Journal of Chemical Information and Modeling 47, 92 - 103 (2007) [10.1021/ci6002619]  GO

Journal Article
; ;
New Approach for the Electronic Energies of the Hydrogen Molecular Ion
Chemical physics 324, (2006) [10.1016/j.chemphys.2005.10.031]  GO

Book
;
GALA Grünenthal Applied Life Science Analysis
NIC-series 30, (2006)

Internal Report
; ; ; ;
Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques
(2006)

Book
; ;
Computational Nanoscience: Do It Yourself! ; NIC Winter School, 14 - 22 February 2006, Forschungszentrum Jülich, Germany - Lecture Notes
NIC series 31, (2006)

Internal Report
; ;
New Approach for the Electronic Energies of the Hydrogen Molecular Ion
(2005)

Internal Report
; ; ;
General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function
(2005)

Journal Article
; ; ; ; ;
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 (2004) [10.1088/0953-4075/37/22/005]  GO

Journal Article
; ; ; ; ;
Exchange Energy for Two-Active-Electron Diatomic Systems Within the Surface Integral Method
Applicable algebra in engineering, communication and computing 15, 101 - 128 (2004) [10.1007/s00200-004-0156-6]  GO

Journal Article
; ; ;
Data Mining in F & E
Bio world 9, 22 - 23 (2004)  GO

Journal Article
; ; ;
Data Mining in der pharmazeutischen Forschung und Entwicklung
1, 20 - 21 (2004)  GO

Book

High Performance Computing in Chemistry
NIC series 25, (2004)

Book

Computermathematik mit Maple; 2. Aufl.
Schriften des Forschungszentrums Jülich . Informationstechnik / Information Technology 5, (2004)

Internal Report
; ; ; ; ;
Asymptotically Exact Calculation of the Exchange Energies of One-Active-Electron Diatomic Ions with the Surface Integral Method
(2004)

Internal Report
; ; ; ; ;
Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method
(2004)

Book

Computermathematik mit Maple
Schriften des Forschungszentrums Jülich . Reihe Informationstechnik / Information Technology 4, (2003)

Book
; ;
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)
NIC series 14, (2002)

Book
; ;
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
NIC series 11, (2002)

Book
; ;
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
NIC series 10, (2002)

Internal Report

Computermathematik mit Maple
(2002)

Journal Article
;
Computer-aided modelling and simulation of the thermodynamics of the steam reforming
Mathematics and computers in simulation 51, 451 - 471 (2000) [10.1016/S0378-4754(99)00136-6]  GO

Book

Modern methods and algorithms of quantum chemistry: Winterschool, 21-25 February 2000, Forschungszentrum Jülich, Germany : proceedings; 2nd ed.
NIC series 3., IV, 638 S. (2000)

Book

Modern methods and algorithms of quantum chemistry: Winterschool, 21-25 February 2000, Forschungszentrum Jülich, Germany : proceedings
NIC series 1., IV, 562 S. (2000)

Book

Modern methods and algorithms of quantum chemistry : winterschool 21. - 25. February 2000 Forschungszentrum Jülich poster presentations / org. by John von Neumann Institute for Computing
NIC series 2, (2000)

Book

Modern methods and algorithms of quantum chemistry : winterschool 21. - 25. February 2000 Forschungszentrum Jülich : proceedings / org. by John von Neumann Institute for Computing
NIC series 1, (2000)

Book

Modern methods and algorithms of quantum chemistry : winterschool 21. - 25. February 2000 Forschungszentrum Jülich : proceedings / org. by John von Neumann Institute for Computing
NIC series 3, (2000)

Book
; ; ;
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
(2000)

Contribution to a book
; ;
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
Jülich, 2000-02-21
NIC series 2, 23 (2000)

Report
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;
Gekoppelte SMP-Systeme im wissenschaftlich-technischen Hochleistungsrechnen - Status und Entwicklungsbedarf (GoSMP)
10 p. (1999)

Proceedings
; ;
Höchstleistungsrechnen in der Chemie
Höchstleistungsrechnen in der Chemie, Jülich, Germany, 02/16/1998 - 02/18/1998 (1998)

Journal Article
; ; ; ; ; ;
Ethanol Transport in Zymomonas mobilis Measured by Using in Vivo Nuclear Magnetic Resonance Spin Transfer
Journal of bacteriology 178, 1756-1761 (1996)  GO

Johannes Grotendorst's publications before 1996

Shuang-Ren, Zhao; Grotendorst, Johannes; Halling, Horst (1995)
Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor
The Maple Technical Newsletter, Volume 2, Number 1, pp. 59-66

Grotendorst, Johannes; Dornseiffer, Jürgen (1994)
Calculation of Chemical Equilibrium Compositions
Technical Report IB-9406,

Grotendorst, Johannes; Dornseiffer, Jürgen; Schoberth, Siegfried M. (1994)
Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry
Proceedings of the Maple Summer Workshop and Symposium (MSWS'94), Rensselaer Polytechnic Institute, 9-13 August 1994, Troy, New York

Grotendorst, Johannes; Jansen, Paul; Schoberth, Siegfried M. (1993)
On Solving the McConnell Equations in Biochemistry
The Maple Technical Newsletter, 1, pp. 56-62, 1994

Grotendorst, Johannes (1992)
Algorithms of mixed symbolic-numeric type for rational approximation
Artificial Intelligence, Expert Systems and Symbolic Computing, edited by Elias N. Houstis and John R. Rice, 145 - 154, 1992

Grotendorst, Johannes (1990)
A Maple Package for Transforming Series, Sequences and Functions
Computer Physics Communications 67 (1991) pp. 325-342

Grotendorst, Johannes (1990)
TRANS: A Maple Package for Transforming Series, Sequences and Functions
Proceedings of the 13th IMACS World Congress on Computation and Applied Mathematics, 22.7.-26.7.1991, Trinity College, Dublin, pp. 95-97

Grotendorst, Johannes (1990)
Approximating Functions by Means of Symbolic Computation and a General Extrapolation Method
Computer Physics Communications 59, 1990, pp. 289-301


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