Richard Grunzke

According to our database, Richard Grunzke authored at least 37 papers between 2011 and 2019.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2019

The MASi repository service - Comprehensive, metadata-driven and multi-community research data management.

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

Future Gener. Comput. Syst., 2019

2018

Gathering requirements for advancing simulations in HPC infrastructures via science gateways.

Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann

Future Gener. Comput. Syst., 2018

Performance Evaluation of the Metadata-Driven MASi Research Data Management Repository Service.

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

Proceedings of the 26th Euromicro International Conference on Parallel, 2018

2017

Challenges in Creating a Sustainable Generic Research Data Infrastructure.

Richard Grunzke, Ralph Müller-Pfefferkorn, Wolfgang E. Nagel, Tobias Adolph, Christoph Biardzki, Anton Frank, Arndt Bode, Anastasia Kazakova, Fidan Limani, Atif Latif, Anja Busch, Timo Borst, Klaus Tochtermann, Maximilian Neumann, Nelson Tavares de Sousa, Ingo Thomsen, Wilhelm Hasselbring, Jakob Tendel, Hans-Joachim Bungartz, Christian Grimm

Softwaretechnik-Trends, 2017

Towards a metadata-driven multi-community research data management service.

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

PeerJ Prepr., 2017

Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support.

Richard Grunzke, Jens Krüger, René Jäkel, Wolfgang E. Nagel, Sonja Herres-Pawlis, Alexander Hoffmann

J. Grid Comput., 2017

Design Evaluation of a Performance Analysis Trace Repository.

Richard Grunzke, Maximilian Neumann, Thomas Ilsche, Volker Hartmann, Thomas Jejkal, Rainer Stotzka, Andreas Knüpfer, Wolfgang E. Nagel

Proceedings of the International Conference on Computational Science, 2017

Maintaining a Science Gateway - Lessons Learned from MoSGrid.

Lukas Zimmermann, Richard Grunzke, Jens Krüger

Proceedings of the 50th Hawaii International Conference on System Sciences, 2017

2016

Generic Metadata Handling in Scientific Data Life Cycles.

Richard Grunzke

PhD thesis, 2016

Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry.

Junaid Arshad, Alexander Hoffmann, Sandra Gesing, Richard Grunzke, Jens Krüger, Tamás Kiss, Sonja Herres-Pawlis, Gábor Terstyánszky

J. Cheminformatics, 2016

Using Science Gateways for Bridging the Differences between Research Infrastructures.

Sandra Gesing, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann

J. Grid Comput., 2016

Advancing a Gateway Infrastructure for Wind Turbine Data Analysis.

Alvaro Aguilera, Richard Grunzke, Dirk Habich, Johannes Luong, Dirk Schollbach, Ulf Markwardt, Jochen Garcke

J. Grid Comput., 2016

UniProv: A Flexible Provenance Tracking System for UNICORE.

André Giesler, Myriam Czekala, Björn Hagemeier, Richard Grunzke

Proceedings of the High-Performance Scientific Computing, 2016

UNICORE 7 - Middleware services for distributed and federated computing.

Krzysztof Benedyczak, Bernd Schuller, Maria Petrova-El Sayed, Jedrzej Rybicki, Richard Grunzke

Proceedings of the International Conference on High Performance Computing & Simulation, 2016

Seamless HPC Integration of Data-Intensive KNIME Workflows via UNICORE.

Richard Grunzke, Florian Jug, Bernd Schuller, René Jäkel, Gene Myers, Wolfgang E. Nagel

Proceedings of the Euro-Par 2016: Parallel Processing Workshops, 2016

2015

Quantum chemical meta-workflows in MoSGrid.

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

Concurr. Comput. Pract. Exp., 2015

Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability.

Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann

Proceedings of the 2015 International Conference on High Performance Computing & Simulation, 2015

Enhanced Usability of Managing Workflows in an Industrial Data Gateway.

Gary A. McGilvary, Malcolm P. Atkinson, Sandra Gesing, Alvaro Aguilera, Richard Grunzke, Eva Sciacca

Proceedings of the 11th IEEE International Conference on e-Science, 2015

Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery.

Richard Grunzke, Alvaro Aguilera, Wolfgang E. Nagel, Jens Krüger, Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing

Proceedings of the 11th IEEE International Conference on e-Science, 2015

2014

Insights into the influence of dispersion correction in the theoretical treatment of guanidine-quinoline copper(I) complexes.

Alexander Hoffmann, Richard Grunzke, Sonja Herres-Pawlis

J. Comput. Chem., 2014

Standards-based metadata management for molecular simulations.

Richard Grunzke, Sebastian Breuers, Sandra Gesing, Sonja Herres-Pawlis, Martin Kruse, Dirk Blunk, Luis de la Garza, Lars Packschies, Patrick Schäfer, Charlotta Schärfe, Tobias Schlemmer, Thomas Steinke, Bernd Schuller, Ralph Müller-Pfefferkorn, René Jäkel, Wolfgang E. Nagel, Malcolm P. Atkinson, Jens Krüger

Concurr. Comput. Pract. Exp., 2014

Device-Driven Metadata Management Solutions for Scientific Big Data Use Cases.

Richard Grunzke, Jürgen Hesser, Jürgen Starek, Nick Kepper, Sandra Gesing, Marcus Hardt, Volker Hartmann, Stephan Kindermann, Jan Potthoff, Michael Hausmann, Ralph Müller-Pfefferkorn, René Jäkel

Proceedings of the 22nd Euromicro International Conference on Parallel, 2014

Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway.

Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Sandra Gesing, Richard Grunzke, Wolfgang E. Nagel, Gábor Terstyánszky, Noam Weingarten

Proceedings of the 6th International Workshop on Science Gateways, 2014

Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway.

Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Richard Grunzke

Proceedings of the 6th International Workshop on Science Gateways, 2014

Architectural Implications for Exascale based on Big Data Workflow Requirements.

René Jäkel, Ralph Müller-Pfefferkorn, Michael Kluge, Richard Grunzke, Wolfgang E. Nagel

Proceedings of the Big Data and High Performance Computing, 2014

Towards Generic Metadata Management in Distributed Science Gateway Infrastructures.

Richard Grunzke, René Jäkel, Wolfgang E. Nagel, Sandra Gesing

Proceedings of the 14th IEEE/ACM International Symposium on Cluster, 2014

Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community.

Sandra Gesing, Jens Krüger, Richard Grunzke, Luis de la Garza, Sonja Herres-Pawlis, Alexander Hoffmann

Proceedings of the Science Gateways for Distributed Computing Infrastructures, 2014

2013

The MoSGrid - e-science gateway: molecular simulations in a distributed computing environment.

Lars Packschies, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Ines dos Santos Vieira, Gregor Fels, Sandra Gesing, Richard Grunzke, Sonja Herres-Pawlis, Oliver Kohlbacher, Jens Krüger, Martin Kruse, Ulrich Lang, Ralph Müller-Pfefferkorn, Patrick Schäfer, Tobias Schlemmer, Thomas Steinke, Klaus-Dieter Warzecha, Andreas Zink

J. Cheminformatics, 2013

Orbital analysis of Oxo and Peroxo Dicopper Complexes via Quantum Chemical Workflows in MoSGrid.

Sonja Herres-Pawlis, Alexander Hoffmann, Richard Grunzke, Lars Packschies

Proceedings of the 5th International Workshop on Science Gateways, 2013

User-Friendly Workflows in Quantum Chemistry.

Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Jens Krüger, Ákos Balaskó, Péter Kacsuk, Richard Grunzke, Georg Birkenheuer, Lars Packschies

Proceedings of the 5th International Workshop on Science Gateways, 2013

User-friendly metaworkflows in quantum chemistry.

Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Luis de la Garza, Jens Krüger, Richard Grunzke

Proceedings of the 2013 IEEE International Conference on Cluster Computing, 2013

2012

MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment.

Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Ines dos Santos Vieira, Gregor Fels, Sandra Gesing, Richard Grunzke, Sonja Herres-Pawlis, Oliver Kohlbacher, Jens Krüger, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Patrick Schäfer, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior

J. Cheminformatics, 2012

A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics.

Sandra Gesing, Richard Grunzke, Jens Krüger, Georg Birkenheuer, Martin Wewior, Patrick Schäfer, Bernd Schuller, Johannes Schuster, Sonja Herres-Pawlis, Sebastian Breuers, Ákos Balaskó, Miklos Kozlovszky, Anna Szikszay Fabri, Lars Packschies, Péter Kacsuk, Dirk Blunk, Thomas Steinke, André Brinkmann, Gregor Fels, Ralph Müller-Pfefferkorn, René Jäkel, Oliver Kohlbacher

J. Grid Comput., 2012

Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway.

Sonja Herres-Pawlis, Georg Birkenheuer, André Brinkmann, Sandra Gesing, Richard Grunzke, René Jäkel, Oliver Kohlbacher, Jens Krüger, Ines dos Santos Vieira

Proceedings of the HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences, 2012

2011

MoSGrid - a molecular simulation grid as a new tool in computational chemistry, biology and material science.

Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Ines dos Santos Vieira, Gregor Fels, Sandra Gesing, Richard Grunzke, Sonja Herres-Pawlis, Oliver Kohlbacher, Nico Kruber, Jens Krüger, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Patrick Schäfer, Hans-Günther Schmalz, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior

J. Cheminformatics, 2011

Molecular simulation grid.

Jens Krüger, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Gregor Fels, Sandra Gesing, Richard Grunzke, Oliver Kohlbacher, Nico Kruber, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Sonja Herres-Pawlis, Patrick Schäfer, Hans-Günther Schmalz, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior

J. Cheminformatics, 2011

Granular Security for a Science Gateway in Structural Bioinformatics.

Sandra Gesing, Richard Grunzke, Ákos Balaskó, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Gregor Fels, Sonja Herres-Pawlis, Péter Kacsuk, Miklos Kozlovszky, Jens Krüger, Lars Packschies, Patrick Schäfer, Bernd Schuller, Johannes Schuster, Thomas Steinke, Anna Szikszay Fabri, Martin Wewior, Ralph Müller-Pfefferkorn, Oliver Kohlbacher

Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences, 2011