Fig. 4. Comparison among state-of-the-art simulations.

a Classical phase diagram of TIP4P/2005 from ref. ³³ calculated using direct-coexistence simulations. b Classical phase diagram of TIP4P/Ice from ref. ¹¹³ calculated using enhanced-coexistence simulations. c Classical phase diagram of iAMOEBA from ref. ³⁴ calculated using direct-coexistence simulations. d Classical phase diagram of DNN@SCAN from ref. ³⁶ calculated using the Einstein Molecule method. e Quantum phase diagram of revPBE0-D3 from ref. ³⁵ calculated using the Debye Crystal method. f Quantum phase diagram of MB-pol calculated in this study using enhanced-coexistence simulations. The phase diagrams that are shown in a, c, d, and e were digitized from the original references. In each panel, the regions of stability for ice I_h, II, III, V, and VI and liquid water are shown as areas colored in green, orange, gray, brown, pink, and blue, respectively, and the experimental phase diagram⁵ is shown using dotted red lines.