Data from "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases"

Yue, Shuwen; Riera, Marc
Issue date: 30 March 2022
Cite as:
Yue, Shuwen & Riera, Marc. (2022). Data from "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases" [Data set]. Princeton University. https://doi.org/10.34770/1yv3-0a21
@electronic{yue_shuwen_2022,
  author      = {Yue, Shuwen and
                Riera, Marc},
  title       = {{Data from "Transferability of data-drive
                n, many-body models for CO2 simulations
                in the vapor and liquid phases"}},
  publisher   = {{Princeton University}},
  year        = 2022,
  url         = {https://doi.org/10.34770/1yv3-0a21}
}
Abstract:

This dataset comprises of data associated with the publication "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases", which can be found at https://doi.org/10.1063/5.0080061. The data includes calculations for a Many-Body decomposition, virial coefficient calculations, orientational molecular scan energies, potential energy fields, correlation plots of training and testing data, vapor-liquid equilibrium simulations, liquid density simulations, and solid cell simulations.

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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=%2F1yv3-0a21%2F (See https://docs.globus.org/how-to/get-started/ for instructions on how to use Globus; sign-in is required).

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More about this record
Authors Yue, Shuwen
Riera, Marc
Contributors Ghosh, Raja, Panagiotopoulos, Athanassios, Paesani, Francesco
Communities Chemical and Biological Engineering
Collection Tags Research Data Sets
Date Accessioned 30 March 2022
Issue date 30 March 2022
Date Created 17 March 2022
URI http://arks.princeton.edu/ark:/88435/dsp019g54xm81w
URI https://doi.org/10.34770/1yv3-0a21
URI https://app.globus.org/file-manager?origin_id=dc43f461-0ca7-4203-848c-33a9fc00a464&origin_path=%2F1yv3-0a21%2F
Table of Contents MBco2README.txt (navigate to the Globus endpoint for all other files)
Referenced by https://doi.org/10.1063/5.0080061
Language en_US
Publisher Princeton University
Relation - Is Referenced By https://doi.org/10.1063/5.0080061
Rights Every file containing Python or C++ source code is licensed as software. See LICENSE.txt for details. All other files are under CC0 1.0 Universal - no rights reserved (https://creativecommons.org/publicdomain/zero/1.0/).
Type Dataset
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