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June 13, 2026Next MaterialsOpen Access

Machine learning-driven optimization of solid-state hydrogen storage materials for sustainable energy applications

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Authors

QMQueen MosesPAP. AshwathSPSudhagar Pitchaimuthu

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Overview

Randomized trial investigates machine learning's role in enhancing hydrogen storage capacity in solid-state materials, indicating significant efficiency improvements.

Key Points

  • This research aims to explore the use of machine learning models to predict and optimize hydrogen storage capacity in solid-state materials.
  • A dataset of 239 hydrogen storage materials was compiled and analyzed using machine learning approaches.
  • Three models were applied: Random Forest (RF), Extreme Gradient Boosting (XGBoost), and Support Vector Regression (SVR).
  • Performance metrics included R² score, Mean Absolute Error (MAE), and Root Mean Squared Error (RMSE).
  • The RF model outperformed other models with an R² score of 0.8657, MAE of 0.7102, and RMSE of 1.0187.
  • Sensitivity analysis revealed that material type and adsorption pressure are critical for hydrogen uptake prediction.
  • Complex hydrides showed the highest storage capacity, achieving up to 18.5 wt%.

Cite This Study

Moses et al. (2026) studied this question.

synapsesocial.com/papers/6a2cf403faef96ed7f05658ehttps://doi.org/10.1016/j.nxmate.2026.102465
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