Data from "Liquid-liquid transition in water from first principles"

Gartner, Thomas; Piaggi, Pablo; Car, Roberto; Panagiotopoulos, Athanassios; Debenedetti, Pablo
Issue date: 2022
Rights:
 Creative Commons Attribution 4.0 International (CC BY)
Cite as:
Gartner, Thomas, Piaggi, Pablo, Car, Roberto, Panagiotopoulos, Athanassios, & Debenedetti, Pablo. (2022). Data from "Liquid-liquid transition in water from first principles" [Data set]. Princeton University. https://doi.org/10.34770/hycg-af09
@electronic{gartner_thomas_2022,
  author      = {Gartner, Thomas and
                Piaggi, Pablo and
                Car, Roberto and
                Panagiotopoulos, Athanassios and
                Debenedetti, Pablo},
  title       = {{Data from "Liquid-liquid transition in w
                ater from first principles"}},
  publisher   = {{Princeton University}},
  year        = 2022,
  url         = {https://doi.org/10.34770/hycg-af09}
}
Description:

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. Each major directory in the dataset contains its own README file with specific information about each directory and the data/scripts contained therein.

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More about this record
Authors Gartner, Thomas
Piaggi, Pablo
Car, Roberto
Panagiotopoulos, Athanassios
Debenedetti, Pablo
Domains Engineering
Communities Chemical and Biological Engineering
Issue date 2022
Date Created 2022-01-01
Date Modified 2024-11-26
URI https://doi.org/10.34770/hycg-af09
URI http://arks.princeton.edu/ark:/88435/dsp01qz20sw67s
Publisher Princeton University
Type Dataset
Funders United States Department of Energy, DE-SC001934
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