Thursday, June 12, 2008

DFT points the way to new catalysts

as outlined here.
A very nice piece of work. It's amazing to see how quantum theory is starting to see practical applications even in the messiest of research areas - catalysis. Back in the early 90's you were lucky to get an absorption line out of the computer, now you can get hints for better heterogeneous catalysts! With computing power doubling every 18 months or so, my field will disappear completely in what, 20 years?

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