Phys. Rev. B 76, 012202 (2007) [4 pages]Noise filtering of cluster expansions in multicomponent systemsReceived 30 May 2007; published 23 July 2007 Multiscale modeling of materials based on cluster expansions has been performed hitherto assuming that the input data, either from first-principles or experimental observations, were noise-free. Our systematic analyses on archetypical systems subjected to Gaussian numerical noise revealed that cluster expansions act as noise filters. This unexpected and remarkable feature has a deep impact on the way we approach the modeling of material properties and how we construct future databases. © 2007 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.76.012202
DOI:
10.1103/PhysRevB.76.012202
PACS:
61.50.Ah, 61.66.Dk, 81.05.Bx
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