From: Eugen Leitl (eugen@leitl.org)
Date: Thu Nov 28 2002 - 09:10:25 MST
On Wed, 27 Nov 2002, Peter C. McCluskey wrote:
> I suspect that the closest to what Gene is claiming is something like
> the methods mentioned in:
> http://www.hpc.csiro.au/External/NEC/1998Aug/quantum.htm
I've just ran into
http://www.mcc.uiuc.edu/NSFITR02Rev/presentation/kalia.pdf
which looks very interesting, since covering a lot of terrain (hybrid
approaches from finite elements to DFT) within one package.
But I don't think finite elements are actually required, as MD should
comfortably scale into mesoscale (some 0.1..1 um).
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