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ORCIDRichard Grunzke
- > Home > Persons > Richard Grunzke
Publications
- 2019
[j15]Richard Grunzke, Volker Hartmann, Thomas Jejkal, Helen Kollai, Ajinkya Prabhune, Hendrik Herold, Aline Deicke, Christiane Dressler, Julia Dolhoff, Julia Stanek, Alexander Hoffmann, Ralph Müller-Pfefferkorn
, Torsten Schrade, Gotthard Meinel, Sonja Herres-Pawlis, Wolfgang E. Nagel:
The MASi repository service - Comprehensive, metadata-driven and multi-community research data management. Future Gener. Comput. Syst. 94: 879-894 (2019)- 2018
- [j14]Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann:
Gathering requirements for advancing simulations in HPC infrastructures via science gateways. Future Gener. Comput. Syst. 82: 544-554 (2018) - [c20]Richard Grunzke, Volker Hartmann, Thomas Jejkal, Helen Kollai, Christiane Dressler, Julia Dolhoff, Julia Stanek, Hendrik Herold, Alexander Hoffmann, Ralph Müller-Pfefferkorn, Torsten Schrade, Sonja Herres-Pawlis, Gotthard Meinel, Wolfgang E. Nagel:
Performance Evaluation of the Metadata-Driven MASi Research Data Management Repository Service. PDP 2018: 334-338 - 2017
- [j13]Richard Grunzke, Jens Krüger, René Jäkel, Wolfgang E. Nagel, Sonja Herres-Pawlis, Alexander Hoffmann:
Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support. J. Grid Comput. 15(1): 41-53 (2017) - [i2]Richard Grunzke, Volker Hartmann, Thomas Jejkal, Ajinkya Prabhune, Hendrik Herold, Aline Deicke, Alexander Hoffmann, Torsten Schrade, Gotthard Meinel, Sonja Herres-Pawlis, Rainer Stotzka, Wolfgang E. Nagel:
Towards a metadata-driven multi-community research data management service. PeerJ Prepr. 5: e2831 (2017) - 2016
- [j10]Sandra Gesing, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann:
Using Science Gateways for Bridging the Differences between Research Infrastructures. J. Grid Comput. 14(4): 545-557 (2016) - [j9]Junaid Arshad, Alexander Hoffmann, Sandra Gesing, Richard Grunzke, Jens Krüger, Tamás Kiss, Sonja Herres-Pawlis, Gábor Terstyánszky:
Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry. J. Cheminformatics 8(1): 58:1-58:17 (2016) - [c15]Richard Grunzke, Volker Hartmann, Thomas Jejkal, Ajinkya Prabhune, Hendrik Herold, Aline Deicke, Alexander Hoffmann, Torsten Schrade, Gotthard Meinel, Sonja Herres-Pawlis, Rainer Stotzka, Wolfgang E. Nagel:
Towards a Metadata-driven Multi-Community Research Data Management Service. IWSG 2016 - 2015
- [j8]Sonja Herres-Pawlis, Alexander Hoffmann, Ákos Balaskó, Péter Kacsuk, Georg Birkenheuer, André Brinkmann, Luis de la Garza, Jens Krüger, Sandra Gesing, Richard Grunzke, Gábor Terstyánszky, Noam Weingarten:
Quantum chemical meta-workflows in MoSGrid. Concurr. Comput. Pract. Exp. 27(2): 344-357 (2015) - [c13]Richard Grunzke, Alvaro Aguilera, Wolfgang E. Nagel, Jens Krüger, Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing:
Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery. e-Science 2015: 371-380 - [c11]Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann:
Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability. HPCS 2015: 19-26 - 2014
- [j6]Alexander Hoffmann, Richard Grunzke, Sonja Herres-Pawlis:
Insights into the influence of dispersion correction in the theoretical treatment of guanidine-quinoline copper(I) complexes. J. Comput. Chem. 35(27): 1943-1950 (2014) - [c8]Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Richard Grunzke:
Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway. IWSG 2014: 67-72 - [c7]Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Sandra Gesing, Richard Grunzke, Wolfgang E. Nagel, Gábor Terstyánszky, Noam Weingarten:
Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway. IWSG 2014: 73-78 - [p1]Sandra Gesing, Jens Krüger, Richard Grunzke, Luis de la Garza, Sonja Herres-Pawlis, Alexander Hoffmann:
Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community. Science Gateways for Distributed Computing Infrastructures 2014: 151-165 - 2013
- [c5]Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Luis de la Garza, Jens Krüger, Richard Grunzke:
User-friendly metaworkflows in quantum chemistry. CLUSTER 2013: 1-3 - [c4]Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Jens Krüger, Ákos Balaskó, Péter Kacsuk, Richard Grunzke, Georg Birkenheuer, Lars Packschies:
User-Friendly Workflows in Quantum Chemistry. IWSG 2013 - [c3]Sonja Herres-Pawlis, Alexander Hoffmann, Richard Grunzke, Lars Packschies:
Orbital analysis of Oxo and Peroxo Dicopper Complexes via Quantum Chemical Workflows in MoSGrid. IWSG 2013
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