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Showing 1 to 1 of 1 for “"phonon; thermal; vibrational; workflow"”.
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Ab initio calculations of phonon properties and spectra in condensed matter
Phonons, the quantization of atomic vibrations, are important in studying many solid state properties, ranging from Raman, infrared, and neutron scattering to thermal expansion, specific heat, and heat conductivity to electrical resistivity and superconductivity. Generally, modeling the interatomic …