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

Shuwen Yue & Marc Riera Riambau
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.
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.