Extreme gradient boosting machine for modeling hydrogen gas storage in carbon slit pores from molecular simulation data

• Main Author: Sripetdee T.
• Other Authors: Mahidol University
• Format: Article
• Published: 2023
• Subjects: Energy
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/87529

To accelerate the computation of hydrogen storage capacity in uniform slit-shaped porous carbon determined by molecular simulation, the traditional Gradient Boosting and XGBoost algorithms are introduced to create the predictive models, and evaluate their prediction effectiveness and accuracy. The r...