A Service-Oriented Framework for Running Quantum Mechanical Simulations of Material Properties in a Grid Environment

Abstract

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… (More)
DOI: 10.1109/TSMCC.2010.2040826

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Cite this paper

@article{Yang2010ASF, title={A Service-Oriented Framework for Running Quantum Mechanical Simulations of Material Properties in a Grid Environment}, author={Xiaoyu Yang and Richard Paul Bruin and Martin T. Dove and Andrew D. Walkingshaw and Thomas V. Mortimer-Jones and Richard Sinclair and Dan J. Wilson and Victor Milman and Tim Donovan}, journal={IEEE Transactions on Systems, Man, and Cybernetics, Part C (Applications and Reviews)}, year={2010}, volume={40}, pages={485-490} }