articleProgress in Materials ScienceJan 6, 2026Closed access

Advanced simulations from DFT to machine learning for solid-state hydrogen storage: fundamentals, progresses, challenges and perspectives

SCShuling ChenMYMei YangSSShaoyang ShenLOLiuzhang Ouyang

South China University of Technology · Guangzhou Institute of Advanced Technology

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Topics
Keywords
  • Transformative learning
  • Computational model
  • Key (lock)
  • Hydrogen
  • Uncertainty quantification
  • Work (physics)
  • Hydrogen storage
  • Monte Carlo method
UN Sustainable Development Goals
  • Industry, innovation and infrastructure
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