CyberCHEQs

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Contents


Project Title:

CyberCHEQS - Development of a service-oriented architecture for solving thermochemical equilibrium calculations using cyberinfrastructure.


Project Overview

The primary objective of the cyberCHEQs project is to develop a robust service-oriented architecture (SOA) for thermochemical property retrieval, upload, computation and verification. It will comprise the first ever cyberinfrastructure (CI) for large-scale thermodynamic computing. While there are several components linked to this project, ACEL is focused on delivering the CI middleware of this project using Web Services as the interface mechanism. Its functions will be published via WSDLs to enable integration with various programming languages. This will provide the community with access to standard thermochemical computation libraries that can be accessed from any programming language.

Other corollary objectives of this project include:

  • a web portal interface
  • generic middleware software that can be applied elsewhere
  • integration of appropriate Web 2.0/emerging technologies to facilitate the computation, analysis and access to the data by other projects

The project is based mainly on Python tools including a grid-enabled Pylons Web application Framework for Web services, pyWSRF (python-Web Services-Resource Framework), pyGlobus based web services, SciPy, and various Google code tools.

Publications