Advanced simulations from DFT to machine learning for solid-state hydrogen storage: fundamentals, progresses, challenges and perspectives
Shuling Chen, Mei Yang, Shaoyang Shen, Liuzhang Ouyang
Topics & Concepts
Transformative learningComputer scienceMachine learningComputational modelKey (lock)Artificial intelligenceHydrogenUncertainty quantificationWork (physics)Hydrogen storageSystems engineeringMonte Carlo methodDensity functional theoryMaterials scienceNanotechnologyComputational simulationDevelopment (topology)Molecular dynamicsManagement scienceRisk analysis (engineering)Data scienceFinite element methodComplex systemComputational learning theoryHydrogen technologiesBiochemical engineeringHydrogen economyField (mathematics)Phase (matter)Hydrogen Storage and MaterialsMachine Learning in Materials ScienceElectrocatalysts for Energy Conversion