Course: CHEM 555/L. Computational Molecular and Materials Chemistry and Lab (2/2)
Prerequisites: CHEM 351/CHEM 351L or Graduate Standing in Chemistry/Biochemistry. Corequisite: CHEM 555L. Recommended Preparatory: CHEM 333/L, CHEM 352/CHEM 352L, CHEM 401/CHEM 401L. This course is designed for advanced chemistry students to acquire in-depth understanding of the chemistry and physics of molecular and extended solid materials and to gain basic skills in calculating their electronic structures, bonding features and physical properties. The course will cover the basic concepts and theories that relate the electron states, bonding features and physical properties of various materials (molecules, polymers, metals, semiconductors, polymers, etc.) and the applications of these methods for the study of various properties such as the vibrational modes and frequencies, the frontier molecular orbitals, the band structures of metals and semiconductors, and the magnetic and mechanical properties of various materials.