Changyan Chi, Michelle X. Zhou, et al.
CHI 2010
In this paper, a service-oriented framework for running quantum mechanical simulation of material properties over Grids is proposed, and a prototype framework has been developed. The framework consists of portal and workflow systems, a set of class libraries and application programming interfaces, defined service specifications, schemas, and configuration files. The framework can be instantiated to submit specific quantum mechanical simulation (e.g., CASTEP) jobs to a Grid from a Web browser with the required tasks managed and coordinated by the workflow without human interaction. The paper details analysis, design, and implementation of a prototype framework. In the test case, the prototype framework is instantiated to submit a CASTEP simulation job to available Grid resources in order to calculate the equation of state of a material. © 2010 IEEE.
Changyan Chi, Michelle X. Zhou, et al.
CHI 2010
David Piorkowski, Inge Vejsbjerg, et al.
PACM HCI
Daniel Smilkov, Han Zhao, et al.
ISM 2010
Jean McKendree, John M. Carroll
CHI 1986