Structural analysis of water networks

Abstract Liquid water, besides being fundamental for life on Earth, has long fascinated scientists due to several anomalies. Different hypotheses have been put forward explain these peculiarities. The most accredited one foresees the presence in supercooled region of two phases at different densities: low-density liquid phase and high-density phase. In our previous work [Faccio et al. (2022), J. Mol. Liq., 355, 118922], we showed that it is possible identify forms water networks through a computational approach based molecular dynamics simulation calculation total communicability associated graph, which nodes correspond molecules edges represent connections (interactions) between molecules. this article, present more in-depth investigation application graph-theory approaches analysis structure networks. particular, investigate connectivity centrality measures report use variety global metrics aimed giving topological geometrical characterization water.