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

Yue, Shuwen; Riera, Marc; Ghosh, Raja; Panagiotopoulos, Athanassios; Paesani, Francesco
Issue date: 2022
Rights:
 GNU General Public License (GPLv3) Creative Commons 1.0 Universal - Public Domain Dedication (CC0)
Cite as:
Yue, Shuwen, Riera, Marc, Ghosh, Raja, Panagiotopoulos, Athanassios, & Paesani, Francesco. (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 and
                Ghosh, Raja and
                Panagiotopoulos, Athanassios and
                Paesani, Francesco},
  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}
}
Description:

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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More about this record
Authors Yue, Shuwen
Riera, Marc
Ghosh, Raja
Panagiotopoulos, Athanassios
Paesani, Francesco
Domains Engineering
Communities Chemical and Biological Engineering
Issue date 2022
Date Created 2022-01-01
Date Modified 2024-10-22
URI https://doi.org/10.34770/1yv3-0a21
URI http://arks.princeton.edu/ark:/88435/dsp019g54xm81w
Publisher Princeton University
Type Dataset
Funders United States Department of Energy, DE-SC0002128
United States Department of Energy, DE-SC0019394
United States Department of Energy, DE-SC0019490
United States Department of Energy, DE-AC02-05CH11231
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