Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water Model

Weis, Jack
Issue date: 13 May 2022
Cite as:
Weis, Jack. (2022). Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water Model [Data set]. Princeton University. https://doi.org/10.34770/vsj7-4j83
@electronic{weis_jack_2022,
  author      = {Weis, Jack},
  title       = {{Molecular Dynamics Trajectories and Anal
                ysis Code Demonstrating  Liquid-Liquid C
                riticality in the WAIL Water Model}},
  publisher   = {{Princeton University}},
  year        = 2022,
  url         = {https://doi.org/10.34770/vsj7-4j83}
}
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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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).

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# Filename Description Filesize
1 README.txt 7.33 KB