Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport.
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DOI: 10.1103/physrevlett.127.025901
Abstract: Computation of correlated ionic transport properties from molecular dynamics in the Green-Kubo formalism is expensive, as one cannot rely on the affordable mean square displacement approach. We use spectral decomposition of the short-time ionic displacement… read more here.
Keywords: accelerated analysis; spectral denoising; correlated ionic; ionic transport ... See more keywords