Markov state model of the two-state behaviour of water

With the help of a Markov State Model (MSM), two-state behaviour is resolved for two computer models of water in a temperature range from 255 K to room temperature (295 K). The method is first validated for ST2 water, for which the so far strongest evidence for a liquid-liquid phase transition exist...

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Veröffentlicht in:	The Journal of chemical physics 2016-10, Vol.145 (13), p.134501-134501
1. Verfasser:	Hamm, Peter
Format:	Artikel
Sprache:	eng
Schlagworte:	Correlation Critical point Density Distribution functions Domains Liquid phases Markov chains Order parameters Phase transitions Physics Radial distribution Water chemistry
Online-Zugang:	Volltext
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