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 |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
MBco2README.txt | 4.64 kB | Text | View/Download |
Items in Dataspace are protected by copyright, with all rights reserved, unless otherwise indicated.