• xkforce@lemmy.world
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    7 months ago

    Gold and Tellurium nanoparticle synthesis was the most interesting but I am not sure it qualifies as “complicated” given the procedures we used.

    If computational chemistry qualifies, I have run on the order of 5,000 DFT optimizations+freq and of those, the most complicated ones involved metallocarborane clusters. These are composed of Boron, Carbon, a metal and different groups coming off the cluster. The largest one that I worked on took about a week to run the calculations on my home machine.