Environment from the Molecular Level
A NERC eScience testbed project
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Environment from the Molecular Level
A NERC eScience testbed project |
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I haven't been in the project for long, but since arriving have worked with Jon Wakelin on the formatting of CML output from Siesta into a more nicely formatted HTML page which uses SVG to draw graphs allowign the identification of possible trends within the data. I have also tried to help and provide a bit of a computer science / XML consultancy experience to some of the computing issues experienced here at Cambridge.
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Background notes:I graduated from Bath University in July 2003 with a degree in Computer Software Theory. I have also worked as an XML consultant and a scientific assistant, modelling radioactive waste movement post storage. I started here at Cambridge in October 2003 and have been doing various things to do with the eMinerals project. Mainly I have been learning my way and picking up an understanding for what has been done so far. I have been working with Jon Wakelin on the formatting of the CML output which Jon has been introducing into Siesta so that it can be viewed in a nicer way. My next task will involve the modification of DL_POLY to utilize CML as an output medium and then to format this output into a nice, understandable HTML output. This presents many challenges, not least of which is handling the massive files which are often created during DL_POLY runs. As with Mark Calleja I have been involved with the purchase of the three new clusters within the project to be located at UCL, Bath and here at Cambridge. Once these machines arrive I will also be involved with the setting up and configuring of each of these machines. |
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