Fig. 2.

Comparisons of the predicted properties of ML-mW and the original mW with experiments. In (a–b) the experimental (Exp) melting point (T = 273 K), maximum density temperature (T = 277 K), and room temperature (T = 298 K) are vertical solid black, dotted black, and solid green lines, respectively. a Densities of ice and liquid water at pressure 1 bar. ML-mW melting point is 289 ± 1 K. b Diffusion coefficients of water over a wide temperature range. Radial distribution functions of c ice at T = 77 K and d liquid water at T = 300 K. Table 3 has the optimized ML-mW parameters