ER-flow publications 2014 ER-flow publications 2014

Analyzing and Modeling Medical Data on Distributed Computing Infrastructures

Type International conference proceedings
Authors G. Terstyanszky
T. Kiss
V. Korkhov
S. D. Olabarriaga
Published HICSS-47, 47th Annual Hawai'i International Conference on Systems Sciences
Waikoloa, Hawai's, USA, January 2014


Device-driven Metadata Management Solutions for Scientific Big Data Use Cases

Type International conference proceedings
Authors R. Grunzke
J. Hesser
J. Starek
N. Kepper
S. Gesing
M. Hardt
V. Hartmann
S. Kindermann
J. Potthoff
M. Hausmann
R. Müller-Pfefferkorn
R. Jäkel
Published 22nd Euromicro International Conference on Parallel, Distributed, and Network-Based Processing (PDP 2014)
2014


Controlling the deployment of virtual machines on clusters and clouds for scientific computing in CBRAIN

Type International conference proceedings
Authors T. Glatard
M.- E. Rousseau
P. Rioux
R. Adalat
A. C. Evans
  14th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing
Chicago, USA, May 2014


Scientific Workflow Management - for whom?

Type International conference proceedings
Authors S. Olabarriaga
G. Pierantoni
G. Taffoni
C. Vuerli
G. Castelli
E. Sciacca
M. M. Jaghoori
V. Korkhov
U. Becciani
E. Carley
B. Bentley
Published 10th IEEE internacional conference on e-Science, Guaruja, Brazil
20-24 Oct 2014


Improved Resilience and Usability for Science Gateway Infrastructures via Integrated Virtual Organizations

Type International conference proceedings
Authors R. Grunzke
J. Krüger
S. Gesing
S. Herres-Pawlis
A. Hoffmann
L. de la Garza
Published EGI Community Forum 2014
2014


Towards Generic Metadata Management in Distributed Science Gateway Infrastructures

Type International conference proceedings
Authors R. Grunzke
S. Gesing
R. Jäkel
W. E. Nagel
Published IEEE/ACM CCGrid 2014 (14th International Symposium on Cluster, Cloud and Grid Computing)
2014


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

Type International conference proceedings
Authors S. Herres-Pawlis
A. Hoffmann
L. de la Garza
J. Krüger
R. Grunzke
S. Gesing
N. Weingarten
G. Terstyansky
Accepted for publication IWSG 2014 (6th International Workshop on Science Gateways)
2014


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

Type International conference proceedings
Authors A. Hoffmann
S. Herres-Pawlis
L. de la Garza
R. Grunzke
J. Krüger
Accepted for publication IWSG 2014 (6th International Workshop on Science Gateways)
2014


Certificate-free User-friendly HPC Access with UNICORE

Type International conference proceedings
Authors R. Grunzke
R. Müller-Pfefferkorn
Accepted for publication UNICORE Summit 2014
2014


The MoSGrid Science Gateway - A Complete Solution for Molecular Simulations

Type Journal article
Authors J. Krüger
R. Grunzke
S. Gesing
S. Breuers
A. Brinkmann
L. de la Garza
O. Kohlbacher
W. E. Nagel
M. Kruse
L. Packschies
R. Müller-Pfefferkorn
P. Schäfer
C. Schärfe
T. Steinke
T. Schlemmer
K.-D. Warzecha
A. Zink
S. Herres-Pawlis
Published The MoSGrid Science Gateway - A Complete Solution for Molecular Simulations, Journal of Chemical Theory and Computation
2014


Quantum Chemical Metaworkflows in MoSGrid

Type Journal article
Authors S. Herres-Pawlis
A. Hoffmann
L. de la Garza
J. Krüger
S. Gesing
Á. Balaskó
P. Kacsuk
G. Birkenheuer
R. Grunzke
G. Terstyanszky
N. Weingarten
A. Brinkmann
Published Concurrency and Computation: Practice and Experience
2014


Performance Studies on Distributed Virtual Screening

Type Journal article
Authors J. Krüger
R. Grunzke
S. Herres-Pawlis
A. Hoffmann
W. E. Nagel
O. Kohlbacher
S. Gesing
Published BioMed Research International
2014


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

Type Journal article
Authors A. Hoffmann
R. Grunzke
S. Herres-Pawlis
Accepted for publication Journal of Computational Chemistry
2014


Insights into Different Donor Abilities Within Bis(pyrazolyl)pyridinylmethane Transition Metal Complexes

Type Journal article
Authors A. Hoffmann
U. Flörke
S. Herres-Pawlis
Published Eur. J. Inorg. Chem. 2014, 2296 - 2306
2014


The MoSGrid science gateway – tailored to the molecular simulation community

Type Book chapter
Authors S. Gesing
J. Krüger
R. Grunzke
L. de la Garza
S. Herres-Pawlis
A. Hoffmann
Accepted for publication SCI-BUS book, Springer
2014


Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (Part II)

Type Journal article
Authors A. Hoffmann
M. Rohrmüller
A. Jesser
I. dos Santos Vieira
W. G. Schmidt
S. Herres-Pawlis
Accepted for publication J. Comp. Chem.
2014


User-Oriented Partial Result Evaluation in Workflow-based Science Gateways

Type International conference proceedings
Authors M. M. Jaghoori
S. Ramezani
S. D. Olabarriaga
Accepted for publication Workflows in Support of Large-Scale Science (WORKS), 9th International Workshop
2014


A Grid-Enabled Virtual Screening Gateway

Type International conference proceedings
Authors M. M. Jaghoori
A. J. V. Altena
B. Bleijlevens
S. D. Olabarriaga
Accepted for publication Science Gateways (IWSG), 2014, 6th International Workshop on, 24-29
2014


Controlling fairness and task granularity in distributed, online, non-clairvoyant workflow executions

Type Journal article
Authors R. Ferreira da Silva
T. Glatard
F. Desprez
Published Concurrency and Computation: Practice and Experience
2014

ER-flow publications 2013 ER-flow publications 2013

Experiences from workflow sharing using the SHIWA Workflow Repository for application porting to DCI

Type International conference proceedings
Authors M.Santcroos
Published EGI Community Forum
Manchester, UK, 2013


Exploring Workflow Interoperability for Neuroimage Analysis on the SHIWA Platform

Type Journal article
Authors V. Korkhov
D. Krefting
T. Kukla
G. Z. Terstyanszky
M. W.A. Caan
S. D. Olabarriaga
Published Journal of Grid Computing
2013


Computer-assisted Scientific Workflow Design

Type Journal article
Authors N. Cerezo
J. Montagnat
M. Blay-Fornarino
Published Journal of Grid Computing, vol 11, num 3, pages 585-612, ISSN 1570-7873
September 2013



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

Type Workshop Proceeding
Authors S. Herres-Pawlis
A. Hoffmann
R. Grunzke
L. Packschies
Published CEUR Workshop Proceedings 2013, Vol. 993, Paper 3.
2013



User-Friendly Workflows in Quantum Chemistry

Type Workshop Proceeding
Authors S. Herres-Pawlis
A. Hoffmann
S. Gesing
J. Krüger
A. Balasko
P. Kacsuk
R. Grunzke
G. Birkenheuer
L. Packschies
Published CEUR Workshop Proceedings 2013, Vol. 993, Paper 14.
2013


On-line, non-clairvoyant optimization of workflow activity granularity on grids

Type Workshop Proceeding
Authors R. Ferreira da Silva
T. Glatard
F. Desprez
Published Euro-Par, Aachen, Germany, pp. 255-266, August 2013
2013


Workflow fairness control on online and non-clairvoyant distributed computing platforms

Type Workshop Proceeding
Authors R. Ferreira da Silva
T. Glatard
F. Desprez
Published Euro-Par, Aachen, Germany, pp. 102-113, August 2013
2013


Self-healing of workflow activity incidents on distributed computing infrastructures

Type Journal article
Authors R. Ferreira da Silva
T. Glatard
F. Desprez
Published Future Generation Computer Systems, in press, 2013
2013


e-Bioscience Solutions and Challenges for Next Generation Sequencing Experiments

Type International conference proceedings
Authors B. DC van Schaik
M. Santcroos
S. Madougou
A. Jongejan
A. HC van Kampen
S. D Olabarriaga
Published Proceedings of IWBBIO 2013, Granada, pp.333-334
18-20 March, 2013


Data Bridge: solving diverse data access in scientific applications

Type International conference proceedings
Authors Z. Farkas
P. Kacsuk
A. Balasko
K. Karoczkai
M. Santcroos
S. Olabarriaga
Published In Proceedings of International Workshop on Science Gateways, Zurich
June 3-5, 2013


Toward Fine-Grained Online Task Characteristics Estimation in Scientific Workflows

Type International conference proceedings
Authors R. Ferreira da Silva
G. Juve
E. Deelman
T. Glatard
F. Desprez
D. Thain
B. Tovar
M. Livny
 
Published 8th Workshop On Workflows in Support of Large-Scale Science (WORKS), Denver, United States
November, 2013

 

User-friendly metaworkflows in quantum chemistry

Type International conference proceedings
Authors A. Hoffmann
S. Herres-Pawlis
S. Gesing
L. de la Garza
J. Krüger
R. Grunzke
 
Published Proceedings of the SGIW (Science Gateway Institute Workshop) 2013
2013


The MoSGrid-e-Science Gateway: Molecular Simulations in a Distributed Computing Environment

Type International conference proceedings
Authors L. Packschies
G. Birkenheuer
D. Blunk
S. Breuers
A. Brinkmann
L. de la Garza
I. Dos Santos Vieira
G. Fels
S. Gesing
R. Grunzke
S. Herres-Pawlis
O. Kohlbacher
J. Krüger
M. Kruse
U. Lang
R. Müller-Pfefferkorn
P. Schäfer
T. Schlemmer
C. Schärfe
T. Steinke
K.-Dieter Warzecha
A. Zink
 
Published Journal of Cheminformatics, 5(Suppl 1):03
November, 2013


Standards-based Metadata Management for Molecular Simulations

Type Journal article
Authors R. Grunzke
S. Breuers
S. Gesing
S. Herres-Pawlis
M. Kruse
D. Blunk
L. de la Garza
L. Packschies
P. Schäfer
C. Schärfe
T. Schlemmer
T. Steinke
B. Schuller
R. Müller-Pfefferkorn
R. Jäkel
W. E. Nagel
M. Atkinson
J. Krüger
 
Published Concurrency and Computation: Practice and Experience
November, 2013


Bundle and Pool Architecture for Multi-Language, Robust, Scalable Workflow Executions

Type Journal article
Authors D. Rogers
I. Harvey
T. Truong Huu
K. Evans
T. Glatard
I. Kallel
I. Taylor
J. Montagnat
A. Jones
A. Harrison
 
Published Journal of Grid Computing (JOGC), 11 (3), pages 457-480, ISSN 1570-7873
September 2013


Fine-Grain Interoperability of Scientific Workflows in Distributed Computing Infrastructures

Type Journal article
Authors K. Plankensteiner
R. Prodan
M. Janetschek
T. Fahringer
J. Montagnat
D. Rogers
I. Harvey
I. Taylor
Á. Balaskó
P. Kacsuk
 
Published Journal of Grid Computing (JOGC), 11 (3), pages 429-456, ISSN 1570-7873
September 2013


Understanding workflows for distributed computing: nitty-gritty details

Type International conference proceedings
Authors S. D. Olabarriaga
M. M. Jaghoori
V. Korkhov
B. van Schaik
A. van Kampen
Published WORKS '13 Proceedings of the 8th Workshop on Workflows in Support of Large-Scale Science, pages 68-76
2013


A Data-Centric Neuroscience Gateway: Design, Implementation, and Experiences

Type International conference proceedings
Authors S. Shahand
A. Benabdelkader
M. M. Jaghoori
M. al Mourabit
J. Huguet
M. W.A. Caan
A. H.C. van Kampen
S. D. Olabarriaga
Published Proceedings of the 5th International Workshop on Science Gateways
Zurich, Switzerland, June 2013


Data Oriented Processing in UNICORE

Type International conference proceedings
Authors B. Schuller
R. Grunzke
A. Giesler
Published UNICORE Summit 2013 Proceedings, 2013, 21, 1-6.
2013

        

   This project has received funding from the European Union's Seventh Framework Programme for research, technological development and demonstration under grant agreement no 312579.