Engineering Machine Learning features to predict adsorption of carbon dioxide and nitrogen in metal-organic frameworks

Name: Engineering Machine Learning features to predict adsorption of carbon dioxide and nitrogen in metal-organic frameworks
Creator: University of Manchester
Published: 2024-03-13T00:00:00+08:00

Zenodo2024-03-13 更新2026-04-07 收录

金属有机框架

气体吸附预测

数据链接：

https://zenodo.org/doi/10.5281/zenodo.10815016 数据链接链接失效反馈

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资源简介：

This repository contains CIF files for metal-organic frameworks and Grand canonical Monte Carlo (GCMC) simulation results for the article Engineering Machine Learning features to predict adsorption of carbon dioxide and nitrogen in metal-organic frameworks by Zijun Deng and Lev Sarkisov.

提供机构：

University of Manchester

创建时间：

2024-03-13