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25 June 2010

Patch-Less Fullerenes

Filed under: Uni — Ivan Miljenovic @ 10:53 PM

All PhD students at the College of Engineering and Computer Science at ANU (of which I am one) had to submit a poster by today for the annual (for the second year running) HDR poster day (unless they’re busy finishing off their thesis, etc.).

I haven’t actually done any research yet since I’m still doing my literature review, so my poster was on what I will be doing once I’ve finally read enough papers on edge contractions, etc. in graphs. The focus will be on generating fullerenes (or at least the combinatorial representation of them) with a new algorithm that will hopefully be better than the current standard by Brinkmann and Dress which works by stitching together “patches” (hence the cheesy title of my poster). The new approach (which doesn’t seem to have any non-paywall versions available) uses expansion operations to recursively build fullerenes up from smaller ones.

A copy of my poster can be found here. It took me a week to do, but it wasn’t all that bad to have a week’s break from reading papers…

And if anyone is looking for vector image visualisation of a C60 buckyball, the one that I made (since I couldn’t find one and spent a weekend playing with different chemical visualisation tools until I managed to make a decent looking one) here is a PDF version (since WordPress won’t let me upload SVGs; if you want an SVG contact me and I can send it to you, or just import this into Inkscape).

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