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.

Registration Year

  • 2022
    1

Resource Types

  • Dataset
    1

Affiliations

  • Princeton University
    1
  • University of California, San Diego
    1