FIG. 9.
The (a) absolute entropy and (b) free energy of water as a function of temperature from the 2PT analysis of the MD trajectory. We find a sharp discontinuity between T = 273.0 and 273.5 K, corresponding to the melting point of ice Ih.

The (a) absolute entropy and (b) free energy of water as a function of temperature from the 2PT analysis of the MD trajectory. We find a sharp discontinuity between T = 273.0 and 273.5 K, corresponding to the melting point of ice Ih.

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