Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation
Shao Ming-Zhe1, Wang Yan-Ting2, Zhou Xin3, †
       

The gNPT method determined the phase transition temperature of the TIP4P-2005 water model. Cyan region refers to 252 ± 5 K from the free energy calculations, yellow region refers to 249±3 K of the direct coexistence route.[21]