TY - BOOK A1 - Grotendorst, Johannes T1 - Quantum simulations of complex many body systems/<1> Y1 - 2002 SN - 3-00-009057-6 N1 - NIC series ; 10 ; John-von-Neumann-Institut für Computing PB - Forschungszentrum Jülich CY - Jülich ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique A1 - Hadinger, Gisèle T1 - 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. JF - Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22 Y1 - 2004 SN - 0953-4075 SP - 4451 EP - 4469 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique A1 - Andrae, D. T1 - 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. JF - Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2 Y1 - 2004 SN - 0938-1279 N1 - zugl. Technical Report FZJ-ZAM-IB-2004-02, April 2004, 24 pages SP - 101 EP - 128 ER - TY - BOOK A1 - Grotendorst, Johannes T1 - 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.) Y1 - 2006 SN - 3-00-017349-8 N1 - NIC-Serie ; 30 ; John von Neumann-Institut für Computing PB - NIC CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Mann, Robert A1 - Martinez Il, Roberto E. T1 - General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function / Scott, Tony C. ; Mann, Robert ; Martinez Il, Roberto E. ; Grotendorst, Johannes Y1 - 2005 N1 - Technical Report FZJ-ZAM-IB-2005-10 CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes T1 - 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 Y1 - 2004 SN - 3-00-013618-5 N1 - NIC-Serie ; 25 ; John von Neumann Institute for Computing PB - NIC CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Computational Nanoscience: Do it yourself! : winter school, 14 - 22 February 2006, Forschungszentrum Jülich, Germany ; lecture notes / Grotendorst, Johannes Y1 - 2006 SN - 3-00-017350-1 N1 - NIC series ; 31 ; Forschungszentrum / John-von-Neumann-Institut für Computing PB - NIC CY - Jülich ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique T1 - New Approach for the Electronic Energies of the Hydrogen Molecular Ion / Scott, Tony C. ; Aubert-Frécon, Monique ; Grotendorst, Johannes JF - Chemical Physics. 324 (2006), H. 2/3 Y1 - 2006 SN - 0301-0104 SP - 323 EP - 338 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Eitrich, T. A1 - Kless, A. A1 - Druska, C. T1 - Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques / Eitrich, T. ; Kless, A. ; Druska, C. ; Meyer, W. ; Grotendorst J. JF - Journal of Chemical Information and Modeling. 47 (2007), H. 1 Y1 - 2007 SN - 1549-9596 SP - 92 EP - 103 ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Multiscale Simulation Methods in Molecular Sciences : Institute for Advanced Simulation (IAS) ; winter school, 2 - 6 March 2009, Forschungszentrum Jülich, Germany ; lecture notes Y1 - 2009 SN - 978-3-9810843-8-2 CY - Jülich ER - TY - JOUR A1 - Stulpe, Werner T1 - Unitary Operator JF - Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed. Y1 - 2009 SN - 978-3-540-70622-9 SP - 807 EP - 809 PB - Springer CY - Berlin ER - TY - JOUR A1 - Stulpe, Werner T1 - Projection JF - Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed. Y1 - 2009 SN - 978-3-540-70622-9 SP - 497 EP - 499 PB - Springer CY - Berlin ER - TY - JOUR A1 - Stulpe, Werner T1 - Self-Adjoint Operator JF - Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed. Y1 - 2009 SN - 978-3-540-70622-9 SP - 692 EP - 697 PB - Springer CY - Berlin ER - TY - JOUR A1 - Stulpe, Werner T1 - Density Operator JF - Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed. Y1 - 2009 SN - 978-3-540-70622-9 SP - 166 EP - 169 PB - Springer CY - Berlin ER - TY - JOUR A1 - Stulpe, Werner A1 - Scholz, Erhard T1 - Hilbert Space / Scholz, Erhard ; Stulpe, Werner JF - Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed. Y1 - 2009 SN - 978-3-540-70622-9 SP - 291 EP - 295 PB - Springer CY - Berlin ER - TY - JOUR A1 - Stulpe, Werner T1 - Operator JF - Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed. Y1 - 2009 SN - 978-3-540-70622-9 SP - 440 EP - 444 PB - Springer CY - Berlin ER - TY - JOUR A1 - Reißel, Martin A1 - Lustfeld, H. A1 - Hirschfeld, J. A1 - Steffen, B. T1 - Uniqueness of magnetotomography for fuel cells and fuel cell stacks / Lustfeld, H. ; Hirschfeld, J. ; Reißel, M ; Steffen, B. JF - Journal of Physics A: Mathematical and Theoretical. 42 (2009), H. 495205 Y1 - 2009 SN - 0022-3689 SP - 9 S. ER - TY - JOUR A1 - Reißel, Martin A1 - Bitsch, G. A1 - Stamm, H. T1 - A Stern Door Slam Fatigue Calculation / Bitsch, G. ; Reißel, M. ; Stamm, H. JF - Proceedings of the 18. CAD-FEM Users Meeting Y1 - 2000 ER - TY - JOUR A1 - Reißel, Martin A1 - Bitsch, G. A1 - Mawick, G. A1 - Tokar, G. T1 - Transient FEM Simulation of a Door Closing Process and Application to Fatigue / Bitsch, G. ; Mawick, G. ; Reißel, M. ; Tokar, G. JF - Proceedings of the 20. CAD-FEM Users Meeting, 2002 Y1 - 2002 N1 - 2.11.10 SP - 1 EP - 8 ER - TY - JOUR A1 - Reißel, Martin A1 - Herbst, Michael A1 - Gottschalk, Swen A1 - Hardelauf, Horst T1 - On preconditioning for a parallel solution of the Richards equation / Herbst, Michael ; Gottschalk, Swen ; Reißel, Martin ; Hardelauf, Horst ; Kasteel, Roy ; Javaux, Matthieu ; Vanderborght, Jan ; Vereecken, Harry JF - Computers & Geosciences. 34 (2008), H. 12 Y1 - 2008 SN - 0098-3004 SP - 1958 EP - 1963 ER -