Paper Info
Title
A grid services cloud for molecular modelling workflows
Abstract
Scientific workflows require seamless access to HPC applications, deployed on remote, globally distributed computing resources. Typically, scientific workflows are both compute- and data-intensive, and often require dynamic execution control mechanisms. We present a service-oriented infrastructure that addresses these challenges by seamlessly integrating grid computing technologies with a Cloud infrastructure to support the scheduling of dynamic scientific workflows. A case study implementing a complex scientific workflow for computing photodynamics of biologically relevant molecules, a simulation of the non-adiabatic dynamics of 2,4-pentadieneiminum-cation (Protonated Schiff Base 3 (PSB3)) solvated in Water, is realised via the presented infrastructure.
Year
DOI
Venue
2010
10.1504/IJWGS.2010.033791
IJWGS
Keywords
Field
DocType
scientific workflows,dynamic scientific workflows,non-adiabatic dynamic,hpc application,protonated schiff base,complex scientific workflow,molecular modelling workflows,grid service,cloud infrastructure,service-oriented infrastructure,grid computing technology,dynamic execution control mechanism,service oriented architecture,grid computing,molecular modelling,soa,web services,cloud computing,simulation
Grid computing,Computer science,Scheduling (computing),Web service,Workflow management system,Workflow,Service-oriented architecture,Grid,Distributed computing,Cloud computing
Journal
Volume
Issue
ISSN
6
2
1741-1106
Citations 
PageRank 
References 
11
0.53
16
Authors
6
Name
Order
Citations
PageRank
Martin Koehler1568.05
Matthias Ruckenbauer2151.32
Ivan Janciak3808.93
Siegfried Benkner461467.47
Hans Lischka55413.75
Wilfried N. Gansterer631135.07