Advances in Quantum Science II: Artificial Intelligence, Computational and Experimental Approaches

This is the second volume in a comprehensive two-volume set, 'Advances in Quantum Science', whose first volume is 'Advances in Quantum Science I: Theoretical and Methodological Approaches'.The volume concentrates on artificial intelligence and computational chemistry relating to advanced materials and molecular systems, integrating experimental studies.The initial part addresses machine learning for the optimisation of parameters in density functional theory, and the introduction of curvature in differential geometry to molecular systems.Newly artificial intelligence method, which predicts pharmaceutical and molecular properties, is developed.In Part II, the superconductivity of iron-based materials is explored, focusing on Mössbauer spectroscopy.It elucidates atom adsorption and structural characterization in nanomaterials, as well as discussing thermal storage materials. In Parts III and IV, molecular properties are examined through quantum chemical computations to elucidate photodis