Please use this identifier to cite or link to this item:
http://arks.princeton.edu/ark:/88435/dsp015712m969wFull metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor | Sciortino, Francesco | - |
| dc.contributor | Panagiotopoulos, Athanassios | - |
| dc.contributor | Debenedetti, Pablo | - |
| dc.contributor.author | Weis, Jack | - |
| dc.date.accessioned | 2022-05-13T18:09:38Z | - |
| dc.date.available | 2022-05-13T18:09:38Z | - |
| dc.date.created | 2021-04-01 | - |
| dc.date.issued | 2022-05-13 | - |
| dc.identifier.uri | http://arks.princeton.edu/ark:/88435/dsp015712m969w | - |
| dc.identifier.uri | https://doi.org/10.34770/vsj7-4j83 | - |
| dc.identifier.uri | https://app.globus.org/file-manager?origin_id=dc43f461-0ca7-4203-848c-33a9fc00a464&origin_path=%2Fvsj7-4j83%2F | - |
| dc.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). | - |
| dc.description.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). | en_US |
| dc.description.sponsorship | MIUR PRIN 2017Z55KCW; US National Science Foundation Award no. CHE-1856704 | en_US |
| dc.description.tableofcontents | README, N300 (directory), N512 (directory), N1000 (directory), OPES (directory), TWO_STATE_MODEL (directory) | en_US |
| dc.language.iso | en_US | en_US |
| dc.publisher | Princeton University | en_US |
| dc.subject | metastability | en_US |
| dc.subject | liquid-liquid phase transition | en_US |
| dc.subject | water | en_US |
| dc.title | Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water Model | en_US |
| dc.type | Dataset | en_US |
| Appears in Collections: | Research Data Sets | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| README.txt | 7.33 kB | Text | View/Download |
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