A classical MD framework computes phonon spectral densities and thermal transport in anharmonic solids by matching quantum Kubo correlators, yielding non-Lorentzian spectra and experimental agreement.
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Lattice thermal transport from phonon spectra beyond perturbation theory
A classical MD framework computes phonon spectral densities and thermal transport in anharmonic solids by matching quantum Kubo correlators, yielding non-Lorentzian spectra and experimental agreement.