2024
DOI: 10.1088/1361-648x/ad4762
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Quantitative predictive theories through integrating quantum, statistical, equilibrium, and nonequilibrium thermodynamics

Zi-Kui Liu

Abstract: Today’s thermodynamics is largely based on the combined law for equilibrium systems and statistical mechanics derived by Gibbs in 1873 and 1901, respectively, while irreversible thermodynamics for nonequilibrium systems resides essentially on the Onsager Theorem as a separate branch of thermodynamics developed in 1930s. Between them, quantum mechanics was invented and was quantitatively solved in terms of density functional theory (DFT) in 1960s. These three scientific domains operate based on different prin… Show more

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Cited by 5 publications
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