@article{Dikta2008, author = {Dikta, Gerhard}, title = {The Bootstrap in Binary Model Diagnostics}, series = {Frontiers of applied and computational mathematics : New Jersey Institute of Technology, USA, 19 - 21 May 2008 ; [dedicated to Daljit Singh Ahluwalia on his 75th birthday ; Fifth Annual Frontiers in Applied and Computational Mathematics Conference (FACM '08) ; selection of papers] / ed. by Denis Blackmore}, journal = {Frontiers of applied and computational mathematics : New Jersey Institute of Technology, USA, 19 - 21 May 2008 ; [dedicated to Daljit Singh Ahluwalia on his 75th birthday ; Fifth Annual Frontiers in Applied and Computational Mathematics Conference (FACM '08) ; selection of papers] / ed. by Denis Blackmore}, publisher = {World Scientific}, address = {Hackensack, NJ [u.a.]}, isbn = {978-981-283-528-4}, pages = {119 -- 126}, year = {2008}, language = {en} } @article{WernerSchusserSpalthahnetal.2011, author = {Werner, Frederik and Schusser, Sebastian and Spalthahn, Heiko and Wagner, Torsten and Yoshinobu, Tatsuo and Sch{\"o}ning, Michael Josef}, title = {Field-programmable gate array based controller for multi spot light-addressable potentiometric sensors with integrated signal correction mode}, series = {Electrochimica Acta}, volume = {56}, journal = {Electrochimica Acta}, number = {26}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0013-4686}, doi = {10.1016/j.electacta.2011.03.012}, pages = {9656 -- 9660}, year = {2011}, abstract = {A light-addressable potentiometric sensor (LAPS) can measure the concentration of one or several analytes at the sensor surface simultaneously in a spatially resolved manner. A modulated light pointer stimulates the semiconductor structure at the area of interest and a responding photocurrent can be read out. By simultaneous stimulation of several areas with light pointers of different modulation frequencies, the read out can be performed at the same time. With the new proposed controller electronic based on a field-programmable gate array (FPGA), it is possible to control the modulation frequencies, phase shifts, and light brightness of multiple light pointers independently and simultaneously. Thus, it is possible to investigate the frequency response of the sensor, and to examine the analyte concentration by the determination of the surface potential with the help of current/voltage curves and phase/voltage curves. Additionally, the ability to individually change the light intensities of each light pointer is used to perform signal correction.}, language = {en} } @article{GerhardsBelloumBerretzetal.2010, author = {Gerhards, M. and Belloum, A. and Berretz, F. and Sander, Volker and Skorupa, S.}, title = {A history-tracing XML-based provenance framework for workflows}, isbn = {978-1-4244-8989-3}, pages = {1 -- 10}, year = {2010}, language = {en} } @article{DiktaSubramanian2009, author = {Dikta, Gerhard and Subramanian, Sundarraman}, title = {Inverse censoring weighted median regression / Sundarraman Subramanian and Gerhard Dikta}, series = {Statistical Methodology. 6 (2009), H. 6}, journal = {Statistical Methodology. 6 (2009), H. 6}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {1572-3127}, pages = {594 -- 603}, year = {2009}, language = {en} } @article{WagnerWernerMiyamotoetal.2012, author = {Wagner, Torsten and Werner, Frederik and Miyamoto, Ko-Ichiro and Sch{\"o}ning, Michael Josef and Yoshinobu, Tatsuo}, title = {Development and characterisation of a compact light-addressable potentiometric sensor (LAPS) based on the digital light processing (DLP) technology for flexible chemical imaging}, series = {Sensors and Actuators B: Chemical}, volume = {170}, journal = {Sensors and Actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0925-4005}, doi = {10.1016/j.snb.2010.12.003}, pages = {34 -- 39}, year = {2012}, abstract = {Chemical imaging systems allow the visualisation of the distribution of chemical species on the sensor surface. This work represents a new flexible approach to read out light-addressable potentiometric sensors (LAPS) with the help of a digital light processing (DLP) set-up. The DLP, known well for video projectors, consists of a mirror-array MEMS device, which allows fast and flexible generation of light patterns. With the help of these light patterns, the sensor surface of the LAPS device can be addressed. The DLP approach has several advantages compared to conventional LAPS set-ups, e.g., the spot size and the shape of the light pointer can be changed easily and no mechanical movement is necessary, which reduces the size of the set-up and increases the stability and speed of the measurement. In addition, the modulation frequency and intensity of the light beam are important parameters of the LAPS set-up. Within this work, the authors will discuss two different ways of light modulation by the DLP set-up, investigate the influence of different modulation frequencies and different light intensities as well as demonstrate the scanning capabilities of the new set-up by pH mapping on the sensor surface.}, language = {en} } @article{WeberBhujuChandraetal.2004, author = {Weber, Hans-Joachim and Bhuju, S. and Chandra, S. and Mo, X.}, title = {Fabrication of biodegradable nanofibers for tubular scaffolds in regenerative medicine / Weber, H.-J. ; Bhuju, S. ; Chandra, S. ; Mo, X.}, series = {Biomedizinische Technik. 49 (2004), H. Erg.-Bd. 2, Teil 2}, journal = {Biomedizinische Technik. 49 (2004), H. Erg.-Bd. 2, Teil 2}, pages = {1016 -- 1017}, year = {2004}, language = {en} } @book{DigelZhubanovaAkimbekov2012, author = {Digel, Ilya and Zhubanova, Azhar Ahmetovna and Akimbekov, Nuraly Shardarbekovich}, title = {Visual Virology}, address = {Almaty}, isbn = {978-601-247-298-1}, pages = {144 S. : zahlr. Ill.}, year = {2012}, language = {en} } @article{StaatVu2012, author = {Staat, Manfred and Vu, Duc Khoi}, title = {Limit analysis of flaws in pressurized pipes and cylindrical vessels Part II: Circumferential defects}, series = {Engineering Fracture Mechanics ; 97(2013), H. 1}, volume = {97}, journal = {Engineering Fracture Mechanics ; 97(2013), H. 1}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0013-7944}, doi = {10.1016/j.engfracmech.2012.05.017}, pages = {314 -- 333}, year = {2012}, abstract = {Upper and lower bound theorems of limit analyses have been presented in part I of the paper. Part II starts with the finite element discretization of these theorems and demonstrates how both can be combined in a primal-dual optimization problem. This recently proposed numerical method is used to guide the development of a new class of closed-form limit loads for circumferential defects, which show that only large defects contribute to plastic collapse with a rapid loss of strength with increasing crack sizes. The formulae are compared with primal-dual FEM limit analyses and with burst tests. Even closer predictions are obtained with iterative limit load solutions for the von Mises yield function and for the Tresca yield function. Pressure loading of the faces of interior cracks in thick pipes reduces the collapse load of circumferential defects more than for axial flaws. Axial defects have been treated in part I of the paper.}, language = {en} } @article{DoorschodtSchreinemachersBehbahanietal.2011, author = {Doorschodt, B. M. and Schreinemachers, M. C. J. M. and Behbahani, Mehdi and Florquin, S. and Weis, J. and Staat, Manfred and Tolba, R. H.}, title = {Hypothermic machine perfusion of kidney grafts: which pressure is preferred}, series = {Annals of Biomedical Engineering. 39 (2011), H. 3}, journal = {Annals of Biomedical Engineering. 39 (2011), H. 3}, publisher = {Springer}, address = {Berlin}, isbn = {1573-9686}, pages = {1051 -- 1059}, year = {2011}, language = {en} } @article{AbouzarPoghossianPedrazaetal.2011, author = {Abouzar, Maryam H. and Poghossian, Arshak and Pedraza, A. M. and Gandhi, D. and Ingebrandt, S. and Moritz, W. and Sch{\"o}ning, Michael Josef}, title = {An array of field-effect nanoplate SOI capacitors for (bio-)chemical sensing}, series = {Biosensors and Bioelectronics. 26 (2011), H. 6}, journal = {Biosensors and Bioelectronics. 26 (2011), H. 6}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {0956-5663}, pages = {3023 -- 3028}, year = {2011}, language = {en} } @article{WeberLacoKunetal.2009, author = {Weber, Hans-Joachim and Laco, Filip and Kun, Ma and Ramakrishna, S.}, title = {The dose effect of human bone marrow-derived mesenchymal stem cells on epidermal development in organotypic co-culture / Laco, Filip ; Kun, Ma ; Weber, Hans Joachim ; Ramakrishna, S. ; Chan, Casey K.}, series = {Journal of Dermatological Science. 55 (2009), H. 3}, journal = {Journal of Dermatological Science. 55 (2009), H. 3}, isbn = {0923-1811}, pages = {150 -- 160}, year = {2009}, language = {en} } @article{AbouzarPedrazaSchoeningetal.2010, author = {Abouzar, Maryam H. and Pedraza, A. M. and Sch{\"o}ning, Michael Josef and Poghossian, Arshak}, title = {Label-free DNA hybridization and denaturation detection by means of field-effect nanoplate SOI capacitors functionalized with gold nanoparticles}, series = {Procedia Engineering. 5 (2010)}, journal = {Procedia Engineering. 5 (2010)}, isbn = {1877-7058}, pages = {918 -- 921}, year = {2010}, language = {en} } @article{ArtmannKelemenPorstetal.1998, author = {Artmann, Gerhard and Kelemen, C. and Porst, Dariusz and B{\"u}ldt, G.}, title = {Cellular engineering: Crash tests an menschlichen Erythrozyten geben Aufschluß {\"u}ber versteckte Materialeigenschaften zellul{\"a}rer Proteine / Artmann, G. M. ; Kelemen, Ch. ; Porst, D. ; B{\"u}ldt, G. ; Chien, Shu}, series = {Biomedizinische Technik / Biomedical Engineering. 43 (1998), H. s1}, journal = {Biomedizinische Technik / Biomedical Engineering. 43 (1998), H. s1}, isbn = {1862-278}, pages = {446 -- 447}, year = {1998}, language = {en} } @article{KraftNobisrathSalumaaetal.2004, author = {Kraft, Bodo and Nobisrath, Ulrich and Salumaa, Priit and Schultchen, Erhard}, title = {Fujaba based Tool Development for eHome Systems / Nobisrath, Ulrich ; Salumaa, Priit ; Schultchen, Erhard ; Kraft, Bodo}, series = {Electronic Notes in Theoretical Computer Science. 127 (2004), H. 1}, journal = {Electronic Notes in Theoretical Computer Science. 127 (2004), H. 1}, isbn = {1571-0661}, pages = {89 -- 99}, year = {2004}, language = {en} } @article{BerretzSkorupaSanderetal.2010, author = {Berretz, F. and Skorupa, S. and Sander, Volker and Belloum, A.}, title = {Towards an actor-driven workflow management system for grids}, series = {International Symposium on Collaborative Technologies and Systems (CTS), 2010 : 17 - 21 May 2010, Chicago, Illinois, USA / IEEE}, journal = {International Symposium on Collaborative Technologies and Systems (CTS), 2010 : 17 - 21 May 2010, Chicago, Illinois, USA / IEEE}, publisher = {IEEE}, address = {Piscataway, NJ}, isbn = {978-1-4244-6619-1}, pages = {611 -- 616}, year = {2010}, 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} } @article{WagnerWernerMiyamotoetal.2010, author = {Wagner, Torsten and Werner, Frederik and Miyamoto, Ko-ichiro and Ackermann, Hans-Josef and Yoshinobu, Tatsuo and Sch{\"o}ning, Michael Josef}, title = {FPGA-based LAPS device for the flexible design of sensing sites on functional interfaces}, series = {Physica Status Solidi (A). 207 (2010), H. 4}, journal = {Physica Status Solidi (A). 207 (2010), H. 4}, isbn = {1862-6300}, pages = {844 -- 849}, year = {2010}, 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{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{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} } @book{GrotendorstDornseifferSchoberth1994, author = {Grotendorst, Johannes and Dornseiffer, J{\"u}rgen and Schoberth, Siegfried M.}, title = {Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, J{\"u}rgen ; Schoberth, Siegfried M.}, publisher = {ZAM, KFA}, address = {J{\"u}lich}, pages = {9 S.}, year = {1994}, language = {en} } @book{GrotendorstDornseifferSchoberth1994, author = {Grotendorst, Johannes and Dornseiffer, J{\"u}rgen and Schoberth, Siegfried M.}, title = {Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, J{\"u}rgen ; Schoberth, Siegfried M.}, publisher = {ZAM, KFA}, address = {J{\"u}lich}, pages = {9 S.}, year = {1994}, language = {en} } @article{GrotendorstJansenSchoberth1993, author = {Grotendorst, Johannes and Jansen, Paul and Schoberth, Siegfried}, title = {On Solving the McConnell Equations in Biochemistry / Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried}, series = {MapleTech. 1 (1993)}, journal = {MapleTech. 1 (1993)}, isbn = {1061-5733}, pages = {56 -- 62}, year = {1993}, 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{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} } @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{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} } @book{Grotendorst2000, author = {Grotendorst, Johannes}, title = {Modern methods and algorithms of quantum chemistry : winter school, 21 - 25 February 2000, Forschungszentrum J{\"u}lich, Germany ; proceedings / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ... 2. ed.}, publisher = {NIC}, address = {J{\"u}lich}, isbn = {3-00-005834-6}, pages = {IV, 638 S. : graph. Darst.}, year = {2000}, 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 ; proceedings / organized by John-von-Neumann-Institute for Computing (NIC). Ed. by Johannes Grotendorst ...}, publisher = {NIC}, address = {J{\"u}lich}, isbn = {3-00-005618-1}, pages = {IV, 562 S.}, year = {2000}, 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} } @book{Grotendorst2002, author = {Grotendorst, Johannes}, title = {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}, publisher = {NIC}, address = {J{\"u}lich}, isbn = {3-00-009058-4}, year = {2002}, language = {en} } @book{Grotendorst2002, author = {Grotendorst, Johannes}, title = {Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, Audio-Visual Lecture Notes / Grotendorst, Johannes [Ed.]}, publisher = {NIC}, address = {J{\"u}lich}, isbn = {3-00-010000-8}, pages = {DVD}, year = {2002}, language = {en} } @book{Grotendorst2000, author = {Grotendorst, Johannes}, title = {Workshop on Molecular Dynamics on Parallel Computers John von Neumann Institute for Computing (NIC), Research Centre J{\"u}lich, Germany 8 - 10 February 1999}, publisher = {World Scientific}, address = {Singapore}, isbn = {981-02-4232-8}, pages = {XI, 379 S. : Ill., graph. Darst.}, 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} } @book{Grotendorst2002, author = {Grotendorst, Johannes}, title = {Quantum simulations of complex many body systems/<1>}, publisher = {Forschungszentrum J{\"u}lich}, address = {J{\"u}lich}, isbn = {3-00-009057-6}, pages = {V, 548 S. : graph. Darst.}, year = {2002}, 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} } @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{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} } @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{GrotendorstScottAubertFrecon2006, author = {Grotendorst, Johannes and Scott, Tony C. and Aubert-Fr{\´e}con, Monique}, title = {New Approach for the Electronic Energies of the Hydrogen Molecular Ion / Scott, Tony C. ; Aubert-Fr{\´e}con, Monique ; Grotendorst, Johannes}, series = {Chemical Physics. 324 (2006), H. 2/3}, journal = {Chemical Physics. 324 (2006), H. 2/3}, isbn = {0301-0104}, pages = {323 -- 338}, year = {2006}, 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{Grotendorst2009, author = {Grotendorst, Johannes}, title = {Multiscale Simulation Methods in Molecular Sciences : Institute for Advanced Simulation (IAS) ; winter school, 2 - 6 March 2009, Forschungszentrum J{\"u}lich, Germany ; lecture notes}, address = {J{\"u}lich}, isbn = {978-3-9810843-8-2}, pages = {576 S. : graph. Darst.}, year = {2009}, language = {en} } @article{Stulpe2009, author = {Stulpe, Werner}, title = {Unitary Operator}, series = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, journal = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-540-70622-9}, pages = {807 -- 809}, year = {2009}, language = {en} } @article{Stulpe2009, author = {Stulpe, Werner}, title = {Projection}, series = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, journal = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-540-70622-9}, pages = {497 -- 499}, year = {2009}, language = {en} } @article{Stulpe2009, author = {Stulpe, Werner}, title = {Self-Adjoint Operator}, series = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, journal = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-540-70622-9}, pages = {692 -- 697}, year = {2009}, language = {en} } @article{Stulpe2009, author = {Stulpe, Werner}, title = {Density Operator}, series = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, journal = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-540-70622-9}, pages = {166 -- 169}, year = {2009}, language = {en} } @article{StulpeScholz2009, author = {Stulpe, Werner and Scholz, Erhard}, title = {Hilbert Space / Scholz, Erhard ; Stulpe, Werner}, series = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, journal = {Compendium of Quantum Physics : concepts, experiments, history and philosophy / Daniel Greenberger ... ed.}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-540-70622-9}, pages = {291 -- 295}, year = {2009}, language = {en} }