Computational modeling is a third pillar of science, alongside experiment and theory. This class introduces several advanced modeling techniques used in solid state chemistry and focuses on atomistic methods, such as molecular dynamics and density functional theory. The class is taught through hands-on projects in which the students use computational approaches to investigate important concepts in solid state chemistry. The aim is that in addition to learning about modeling and simulation, students will develop an understanding of how and when to use these tools effectively, and how to analyze and critically assess results. Specific topics are outlined in the schedule. Pre-requisites: basic programming experience.
Roughly speaking, inorganic chemistry concerns the properties and behavior of inorganic compounds, i.e., chemicals that lack carbon–hydrogen bonds, and organometallic compounds. In practice, the lines between organic and inorganic chemistry are rather blurry. As indicated in the course catalog, this is a graduate-level course on theoretical and descriptive inorganic chemistry. Topics will include molecular symmetry, spectroscopy, electronic structure/bonding, magnetism, electron transfer, and catalysis. Solid-state chemistry and, if time permits, organometallic chemistry will also be briefly discussed. Where appropriate, emphasis will be placed on the relationship between structure and reactivity. Pre-requisites: CHEM 2420, CHEM 4110 and CHEM 3550 or 4507, or graduate standing.