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 <Jülich>
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 <Jülich>
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 <Jülich>
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 <Jülich> / John-von-Neumann-Institut für Computing <Jülich>
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  -