Correlation matrices S and Q from MD simulations enable an optimization scheme to determine temperature-dependent anharmonic phonon quasiparticles, frequencies, and lifetimes.
de Koker, Thermal conductivity of MgO periclase from equi- librium first principles molecular dynamics, Phys
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Correlation Matrix Method for Phonon Quasiparticles
Correlation matrices S and Q from MD simulations enable an optimization scheme to determine temperature-dependent anharmonic phonon quasiparticles, frequencies, and lifetimes.