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Title: Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water Model
Contributors: Sciortino, Francesco
Panagiotopoulos, Athanassios
Debenedetti, Pablo
Weis, Jack
Keywords: metastability
liquid-liquid phase transition
Issue Date: 13-May-2022
Publisher: Princeton University
Abstract: These GROMACS trajectories show the existence of a critical point in deeply supercooled WAIL water. Also included is the code necessary to reproduce the figures in the corresponding paper from these trajectories. From this data the critical temperature, pressure, and density of the model can be found, and critical fluctuations in the deeply supercooled liquid can be directly observed (in a computer-simulation sense).
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Appears in Collections:Research Data Sets

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