Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: , 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 b 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.
['Xiaoyu Yang', 'R. P. Bruin', 'Martin T. Dove', 'Andrew D. Walkingshaw', 'Thomas V. Mortimer-Jones', 'Richard Sinclair', 'Dan J. Wilson', 'Victor Milman', 'Tim Donovan']
I am writing a research paper on a idea A Service-Oriented Framework for Running Quantum Mechanical Simulations of Material Properties in a Grid Environment
[{"from": "human", "value": "I am writing a research paper on a idea A Service-Oriented Framework for Running Quantum Mechanical Simulations of Material Properties in a Grid Environment"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: , 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 b 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."}]