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http://arks.princeton.edu/ark:/88435/dsp01qz20sw67s| Title: | Data from "Liquid-liquid transition in water from first principles" |
| Contributors: | Piaggi, Pablo Car, Roberto Panagiotopoulos, Athanassios Debenedetti, Pablo Gartner, Thomas |
| Keywords: | Molecular simulation Water Machine learning Liquid-liquid transition |
| Issue Date: | 26-Jul-2022 |
| Publisher: | Princeton University |
| Abstract: | This dataset contains all data relevant to a forthcoming publication in which we used molecular simulation methods to study the phase behavior of supercooled water. The dataset contains simulation input and output files, processed data files, and image files used to create all plots in the manuscript. Python analysis scripts are also included, including instructions for how to re-generate all plots in the manuscript. |
| Description: | Each major directory in the dataset contains its own README file with specific information about each directory and the data/scripts contained therein. 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?destination_id=dc43f461-0ca7-4203-848c-33a9fc00a464&destination_path=%2Fhycg-af09%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/dsp01qz20sw67s https://app.globus.org/file-manager?destination_id=dc43f461-0ca7-4203-848c-33a9fc00a464&destination_path=%2Fhycg-af09%2F https://doi.org/10.34770/hycg-af09 |
| Appears in Collections: | Research Data Sets |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| LLTREADME | 5.38 kB | Unknown | View/Download |
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