Florian Janetzko's publications
Journal Article
New Team for Coordination of Computing Time Allocation located at JSC
Innovatives Supercomputing in Deutschland 14(1), 11 (2016)
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Report
Performance Analysis and Enabling of the RayBen Code for the Intel® MIC Architecture
PRACE Consortium Partners 9 p. (2014)
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Contribution to a conference proceedings/Contribution to a book
Parallel Programming
45th IFF Spring School 2014 "Computing Solids – Models, ab-initio methods and supercomputing", ed. S. Blügel, N. Helbig, V. Meden, D. Wortmann
45th IFF Spring School, JülichJülich, Germany, 10 Mar 2014 - 21 Mar 2014
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien 74, D2 (2014)
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Journal Article
Advancements of the UltraScan scientific gateway for open standards-based cyberinfrastructures
Concurrency and computation 26(13), 2280 - 2291 (2014) [10.1002/cpe.3251]
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Contribution to a conference proceedings/Contribution to a book
Improvements of the UltraScan scientific gateway to enable computational jobs on large-scale and open-standards based cyberinfrastructures
Proceedings of the Conference on Extreme Science and Engineering Discovery Environment Gateway to Discovery - XSEDE '13
Conference on Extreme Science and Engineering Discovery Environment Gateway to Discovery, XSEDE'13, San DiegoSan Diego, California, 22 Jul 2013 - 25 Jul 2013
ACM Press New York, New York, USA 39 pp. (2013) [10.1145/2484762.2484800]
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Contribution to a conference proceedings/Contribution to a book
On Enabling Hydrodynamics Data Analysis of Analytical Ultracentrifugation Experiments
UNICORE Summit 2013
UNICORE Summit 2013, LeipzigLeipzig, Germany, 18 Jun 2013 - 18 Jun 2013
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, Verlag, IAS Series 21, 29-38 (2013)
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Contribution to a book
Blue Gene/P: JUGENE
Contemporary High Performance Computing : From Petascale toward Exascale
Boca Raton, FL, USA : CRC Press, Taylor & Francis Group, Computational Science Series 153-188 (2013)
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Journal Article
Extreme responses of a coupled scalar–particle system during turbulent mixing
New journal of physics 14(11), 115020 (2012) [10.1088/1367-2630/14/11/115020]
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Journal Article
Implementation of empirical dispersion corrections to density functional theory for periodic systems
Journal of computational chemistry 33, 2023 - 2031 (2012) [10.1002/jcc.23037]
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Contribution to a conference proceedings/Contribution to a book
A Flexible, Application- and Platform-Independent Environment for Benchmarking
Parallel Computing: From Multicores and GPU's to Petascale, / ed.: B. Chapman, F. Desprez, G.R. Joubert, A. Lichnewsky, F. Peters and T. Priol, Amsterdam, IOS Press, 2010. Advances in Parallel Computing Volume 19. - 978-1-60750-529-7. - S. 423 - 430
[10.3233/978-1-60750-530-3-423]
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Journal Article
Surface relaxation phenomena at electrified interfaces: Revealing adsorbate, potential, and solvent effects by combined x-ray diffraction, STM and DFT studies
Physical review / B 79(11), 115448 (2009) [10.1103/PhysRevB.79.115448]
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Journal Article
A MinMax self-consistent-field approach for auxiliary density functional theory
The journal of chemical physics 130(11), 114106 - (2009) [10.1063/1.3080618]
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Journal Article
Theoretical Investigation of Formamide Adsorption on Ag(111) Surfaces
The journal of physical chemistry <Washington, DC> / C 113(24), 10541 - 10547 (2009) [10.1021/jp811146m]
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Journal Article
Characterization of the active site of yeast RNA polymerase II by DFT and ReaxFF calculations
Theoretical chemistry accounts 120(4-6), 479 - 489 (2008) [10.1007/s00214-008-0440-9]
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Journal Article
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations
Journal of computational chemistry 29(13), 2295 - 2301 (2008) [10.1002/jcc.20997]
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Journal Article
Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods
The journal of chemical physics 128(2), 024102 - (2008) [10.1063/1.2817582]
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Journal Article
Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems
The journal of chemical physics 126(4), 044108 - (2007) [10.1063/1.2431643]
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Journal Article
Parallelization of the deMon2k code
Journal of computational chemistry 27(4), 483 - 490 (2006) [10.1002/jcc.20361]
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Journal Article
First-principles periodic and semiempirical cyclic cluster calculations for single oxygen vacancies in crystalline Al2O3
Physica status solidi / B 241(5), 1032 - 1040 (2004) [10.1002/pssb.200301961]
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Journal Article
Polarizabilities and first hyperpolarizabilities of stilbene analogues
Chemical physics 287(1-2), 161 - 168 (2003) [10.1016/S0301-0104(02)00988-6]
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Journal Article
Effects of long-range interactions in cyclic cluster calculations of metal oxides
The journal of chemical physics 116(20), 8994 - 9004 (2002) [10.1063/1.1473802]
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Journal Article
Calculation of heat capacities and entropies of metal halides with quantum chemical methods
The journal of chemical physics 114(13), 5472 - 5481 (2001) [10.1063/1.1351879]
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