Title
A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership
Abstract
Cutting-edge scientific computing software is complex, increasingly involving the coupling of multiple packages to combine advanced algorithms or simulations at multiple physical scales. Component-based software engineering (CBSE) has been advanced as a technique for managing this complexity, and complex component applications have been created in the quantum chemistry domain, as well as several other simulation areas, using the component model advocated by the Common Component Architecture (CCA) Forum. While programming models do indeed enable sound software engineering practices, the selection of programming model is just one building block in a comprehensive approach to large-scale collaborative development which must also address interface and data standardization, and language and package interoperability. We provide an overview of the development approach utilized within the Quantum Chemistry Science Application Partnership, identifying design challenges, describing the techniques which we have adopted to address these challenges and highlighting the advantages which the CCA approach offers for collaborative development.
Year
DOI
Venue
2008
10.3233/SPR-2008-0264
Scientific Programming
Keywords
Field
DocType
component approach,large-scale collaborative development,cutting-edge scientific computing software,component-based software engineering,comprehensive approach,cca approach,scientific software development,collaborative development,quantum chemistry science application,programming model,advanced algorithm,sound software engineering practice,development approach,component,electronic structure,quantum chemistry,integral,software development
Programming paradigm,Software engineering,Package development process,Computer science,Parallel computing,Common Component Architecture,Theoretical computer science,Software development process,Component-based software engineering,Software construction,Software development,Social software engineering
Journal
Volume
Issue
ISSN
16
4
1058-9244
Citations 
PageRank 
References 
1
0.35
4
Authors
5
Name
Order
Citations
PageRank
Joseph P. Kenny120817.98
Curtis L. Janssen211210.46
Mark S. Gordon328325.73
Masha Sosonkina427245.62
Theresa L. Windus522930.66