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The current state of the art for determining thermoelectric properties islimited to the investigation of electrons or phonons without including theinherent electron-phonon coupling that is in all materials. This gives rise tolimitations in accurately calculating base material properties that are in goodagreement with experimental data. Steepest-entropy-ascent quantumthermodynamics is a general non-equilibrium thermodynamic ensemble frameworkthat provides a general equation of motion for non-equilibrium system stateevolution. This framework utilizes the electron and phonon density of states asinput to compute material properties, while taking into account theelectron-phonon coupling. It is able to span across multiple spatial andtemporal scales in a single analysis. Any system's thermoelectric propertiescan, therefore, be attained provided the accurately determined density ofstates is available.

Predicting Coupled Electron and Phonon Transport Using Steepest-Entropy-Ascent Quantum Thermodynamics