STACIE is an automated spectral estimator with cross-validated cutoff selection, calibrated error bars, and a 15,360-case synthetic benchmark for autocorrelation integrals.
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-nAlgorithm in LAMMPS,
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STable AutoCorrelation Integral Estimator (STACIE): Robust and accurate transport properties from molecular dynamics simulations
STACIE is an automated spectral estimator with cross-validated cutoff selection, calibrated error bars, and a 15,360-case synthetic benchmark for autocorrelation integrals.