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MuST Program Simplifies Predictions of Material Properties
XSEDE ECSS scientist a leader in development of open-source tool for engineering new substances
ecss
successes
psc
bridges
materials science
mps
dmr
must
multiple scattering theory
disordered materials
locally self-consistent multiple scattering theory
lsms
density function theory
dft
korringa-kohn-rostoker
coherent potential approximation
kkr
cpa
kubo-greenwood formula
electron flow
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