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Please use this identifier to cite or link to this item: http://arks.princeton.edu/ark:/88435/dsp015712m969w
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
water
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).
Description: This dataset is too large to download directly from this item page. You can access and download the data via Globus at this link: https://app.globus.org/file-manager?origin_id=dc43f461-0ca7-4203-848c-33a9fc00a464&origin_path=%2Fvsj7-4j83%2F (See https://docs.globus.org/how-to/get-started/ for instructions on how to use Globus; sign-in is required).
URI: http://arks.princeton.edu/ark:/88435/dsp015712m969w
https://doi.org/10.34770/vsj7-4j83
https://app.globus.org/file-manager?origin_id=dc43f461-0ca7-4203-848c-33a9fc00a464&origin_path=%2Fvsj7-4j83%2F
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