OK, I want each student to write a daily report for the blog. This may be a lot or a little, but some statement about what you are working on, what is good and what is not working.
My first post:
I am working on a SCIDAC proposal for a center involving Rochester, Duke and WVU on nonadiabatic dynamics. Anxious to hear more about filaments. I am wondering what will happen when Yingdi gets her "most uniform" topologically disordered network program running. It will be very interesting to see electronic structure that comes from this and also the nature of relaxations -- eg how structural non-uniformity grows from the "most uniform" state. Will it be filaments? I don't know! All this may depend upon the metric -- whether we use only bondlengths, only bond angles or a weighted sum of the two in the penalty function.
on Binay's work -- It really seems like we need an empirical potential for GST, but this is of course incredibly harder than it sounds, if it is to be believable. As i said, there are sort of OK potentials from Iyetomi et al for GeSeAg (which would be nice to try out), but GST is so delicate and respects no simple coordination -- which makes me think an empirical potential is probably just hopeless. If we have to stick to plane waves it will be very very slow. Have to pick our problems really carefully.
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