Topics Density functional theory, Hydrogen storage, Deep learning, Artificial neural networks, Machine learning, Nanoparticle, Crystal structure, Adsorption, Alloys, Catalysts and Catalysis While pure metals are limited in number and properties, structural alloying and composition fine-tuning allow for tailoring the metallic properties such as strength, stiffness, weldability, magnetism, conductivity, corrosion resistance,1 storage capacity,2 and catalytic activity.3 For example, adding Cu to...
