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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
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.
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Appears in Collections:Research Data Sets

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File Description SizeFormat 
LLTREADME5.38 kBUnknownView/Download

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