Machine learning to explore high-entropy alloys with desired enthalpy for room-temperature hydrogen storage: Prediction of density functional theory and experimental data
Shivam Dangwal, Yuji Ikeda, Blazej Grabowski, Kaveh Edalati
Topics & Concepts
EnthalpyHydrogen storageDensity functional theoryThermodynamicsHydrogenEntropy (arrow of time)Experimental dataMaterials scienceChemistryComputer sciencePhysicsComputational chemistryMathematicsStatisticsOrganic chemistryHydrogen Storage and MaterialsMachine Learning in Materials ScienceCatalytic Processes in Materials Science