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Please use this identifier to cite or link to this item: http://arks.princeton.edu/ark:/88435/dsp019g54xm81w
Title: Data from "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases"
Contributors: Ghosh, Raja
Panagiotopoulos, Athanassios
Paesani, Francesco
Yue, Shuwen
Riera, Marc
Keywords: CO2
data-driven models
thermodynamic properties
liquid phase
vapor-liquid equilibrium
gas phase
Issue Date: 30-Mar-2022
Publisher: Princeton University
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.
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).
URI: http://arks.princeton.edu/ark:/88435/dsp019g54xm81w
https://doi.org/10.34770/1yv3-0a21
https://app.globus.org/file-manager?origin_id=dc43f461-0ca7-4203-848c-33a9fc00a464&origin_path=%2F1yv3-0a21%2F
Referenced By: https://doi.org/10.1063/5.0080061
Appears in Collections:Research Data Sets

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