Data for "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2"
收藏DataCite Commons2024-08-23 更新2025-04-09 收录
下载链接：
https://datacommons.princeton.edu/discovery/doi/10.34770/3sr4-5g77
下载链接
链接失效反馈官方服务：
资源简介：
This dataset contains example input files, training data sets and
potential files related to the publication "First-principles-based
Machine Learning Models for Phase Behavior and Transport Properties of
CO2." by Mathur et al (2023). In this work, we developed machine
learning models for CO2 based on different exchange-correlation DFT
functionals. We assessed their performance on liquid densities,
vapor-liquid equilibrium and transport properties.
提供机构：
Princeton University
创建时间：
2023-01-27
