@article{Grotendorst1991, author = {Grotendorst, Johannes}, title = {A Maple package for transforming series, sequences and functions}, series = {Computer Physics Communications. 67 (1991), H. 2}, journal = {Computer Physics Communications. 67 (1991), H. 2}, isbn = {0010-4655}, pages = {325 -- 342}, year = {1991}, language = {en} } @article{Grotendorst1992, author = {Grotendorst, Johannes}, title = {Algorithms of mixed symbolic-numeric type for rational approximation}, series = {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 ...}, journal = {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 ...}, publisher = {North-Holland}, address = {Amsterdam}, isbn = {0-444-89703-8}, pages = {145 -- 154}, year = {1992}, language = {en} } @article{Grotendorst1990, author = {Grotendorst, Johannes}, title = {Approximating functions by means of symbolic computation and a general extrapolation method}, series = {Computer Physics Communications. 59 (1990), H. 2}, journal = {Computer Physics Communications. 59 (1990), H. 2}, isbn = {0010-4655}, pages = {289 -- 301}, year = {1990}, language = {en} } @article{GrotendorstScottAubertFreconetal.2004, author = {Grotendorst, Johannes and Scott, Tony C. and Aubert-Fr{\´e}con, Monique and Hadinger, Gis{\`e}le}, title = {Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method / Scott, Tony C. ; Aubert-Fr{\´e}con, Monique ; Hadinger, Gis{\`e}le ; Andrae, Dirk ; Grotendorst, Johannes ; Morgan Ill, John D.}, series = {Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22}, journal = {Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22}, isbn = {0953-4075}, pages = {4451 -- 4469}, year = {2004}, language = {en} } @book{Grotendorst1994, author = {Grotendorst, Johannes}, title = {Calculation of Chemical Equilibrium Compositions : Interner Bericht}, publisher = {Forschungszentrum J{\"u}lich}, address = {J{\"u}lich}, pages = {11 S.}, year = {1994}, language = {en} } @article{GrotendorstShuangRenHalling1996, author = {Grotendorst, Johannes and Shuang-Ren, Zhao and Halling, Horst}, title = {Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor / Shuang-Ren, Zhao ; Grotendorst, Johannes ; Halling, Horst}, series = {MapleTech . 2 (1996), H. 1}, journal = {MapleTech . 2 (1996), H. 1}, isbn = {1061-5733}, pages = {59 -- 66}, year = {1996}, language = {en} } @article{GrotendorstEitrichKlessetal.2007, author = {Grotendorst, Johannes and Eitrich, T. and Kless, A. and Druska, C.}, title = {Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques / Eitrich, T. ; Kless, A. ; Druska, C. ; Meyer, W. ; Grotendorst J.}, series = {Journal of Chemical Information and Modeling. 47 (2007), H. 1}, journal = {Journal of Chemical Information and Modeling. 47 (2007), H. 1}, isbn = {1549-9596}, pages = {92 -- 103}, year = {2007}, language = {en} } @book{Grotendorst2006, author = {Grotendorst, Johannes}, title = {Computational Nanoscience: Do it yourself! : winter school, 14 - 22 February 2006, Forschungszentrum J{\"u}lich, Germany ; lecture notes / Grotendorst, Johannes}, publisher = {NIC}, address = {J{\"u}lich}, isbn = {3-00-017350-1}, pages = {V, 527 S. : Ill., graph. Darst.}, year = {2006}, language = {en} } @article{GrotendorstDornseiffer2000, author = {Grotendorst, Johannes and Dornseiffer, J{\"u}rgen}, title = {Computer-aided Modelling and Simulation of the Thermodynamics of Steam Reforming / Grotendorst, Johannes ; Dornseiffer, J{\"u}rgen}, series = {Mathematics and Computers in Simulation. 51 (2000), H. 5}, journal = {Mathematics and Computers in Simulation. 51 (2000), H. 5}, isbn = {0378-4754}, pages = {451 -- 471}, year = {2000}, language = {en} } @article{GrotendorstKlessDickhausetal.2004, author = {Grotendorst, Johannes and Kless, A. and Dickhaus, T. and Meyer, W.}, title = {Data Mining in der pharmazeutischen Forschung und Entwicklung / Kless, A. ; Dickhaus, T. ; Meyer, W. ; Grotendorst, J.}, series = {LITUS - Laboratory IT User Service. 1 (2004)}, journal = {LITUS - Laboratory IT User Service. 1 (2004)}, pages = {20 -- 21}, year = {2004}, language = {en} } @article{GrotendorstKlessEitrich2004, author = {Grotendorst, Johannes and Kless, A. and Eitrich, T.}, title = {Data Mining in F \& E / Kless, A. ; Eitrich, T. ; Meyer, W. ; Grotendorst, J.}, series = {BioWorld: Magazin f{\"u}r Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2}, journal = {BioWorld: Magazin f{\"u}r Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2}, isbn = {1424-8514}, pages = {22 -- 23}, year = {2004}, language = {en} } @article{GrotendorstSchoberthChapmanetal.1996, author = {Grotendorst, Johannes and Schoberth, S. M. and Chapman, B. E. and Kuchel, P. W.}, title = {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}, series = {Journal of Bacteriology. 178 (1996), H. 6}, journal = {Journal of Bacteriology. 178 (1996), H. 6}, isbn = {0021-9193}, pages = {1756 -- 1761}, year = {1996}, language = {en} } @article{GrotendorstScottAubertFreconetal.2004, author = {Grotendorst, Johannes and Scott, Tony C. and Aubert-Fr{\´e}con, Monique and Andrae, D.}, title = {Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method / Scott,T. C .; Aubert-Fr{\´e}con, M. ; Andrae, D. ; Grotendorst, J. ; Morgan III, J. D. ; Glasser, M. L.}, series = {Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2}, journal = {Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2}, isbn = {0938-1279}, pages = {101 -- 128}, year = {2004}, 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} } @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{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{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} } @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} } @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} } @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} }