ePubs
The open archive for STFC research publications
Home
About ePubs
Content Policies
News
Help
Privacy/Cookies
Suggest an Enhancement
Contact ePubs
Full Record Details
Persistent URL
http://purl.org/net/epubs/work/35319
Record Status
Checked
Record Id
35319
Title
Towards a Common Data and Command Representation for Quantum Chemistry
Contributors
RJ Allan (Science and Technology Facilities Council)
,
P Couch (Science and Technology Facilities Council)
,
P Knowles (Cardiff U.)
,
P Sherwood (Science and Technology Facilities Council)
Abstract
Computational chemistry increasingly requires the use of a variety of applications in close cooperation to solve complex problems, and the realisation of Grid technologies has provided a strong technological framework for such integration. However, communication between applications is still hindered by a lack of data format standards and agreed semantics. Consideration of a common data and command representation would alleviate some of this difficulty. In addition, the storage of data in a 'universal' format with suitable meta-data would simplify its analysis, interpretation and appropriate re-use. Another aim is to be able to log metadata conforming to a known data model such that scientific procedures can be more reliably repeatable. Simple conversion between existing application data formats is error prone and not scalable, and a solution is to find a common 'middle ground' for the data representation. The eCCP1 project has been established to formulate the requirements for enabling effective use of Grid resources by the quantum chemistry community. More specifically, the project investigates Grid middleware, compute resources, client tools and tracks and develops standards in data and command representation.
Organisation
CCLRC
,
CSE
,
ESC
,
CSE-CCG
,
ESC-FW
Keywords
Chemistry
,
XML
,
data
,
eCCP
,
semantics
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Paper In Conference Proceedings
In UK e-Science All Hands Meeting 2004 (AHM2004), Nottingham, UK, 31 Aug 2004 - 3 Sep 2004, (2004).
254.pdf
2004
Showing record 1 of 1
Recent Additions
Browse Organisations
Browse Journals/Series
Login to add & manage publications and access information for OA publishing
Username:
Password:
Useful Links
Chadwick & RAL Libraries
SHERPA FACT
SHERPA RoMEO
SHERPA JULIET
Journal Checker Tool
Google Scholar