@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} }