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

Gartner, Thomas
Issue date: 26 July 2022
Cite as:
Gartner, Thomas. (2022). Data from "Liquid-liquid transition in water from first principles" [Data set]. Princeton University.
  author      = {Gartner, Thomas},
  title       = {{Data from "Liquid-liquid transition in w
                ater from first principles"}},
  publisher   = {{Princeton University}},
  year        = 2022,
  url         = {}

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.

Show More

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

Show More

This dataset is too large to download directly from this item page. You can access and download the data via Globus at this link: (See for instructions on how to use Globus; sign-in is required).

Show More
# Filename Description Filesize