<p>Lecture, three hours. Enforced requisite: course 14A or 20A or 20AH, with grade of C– or better. Materials are central to many modern technologies, from industrial catalysis, to batteries, computer hard disks, and quantum computers. Computational modeling gains central stage in materials research and discovery, especially with emergence of artificial intelligence techniques and big data initiatives. Introduction to computational tools enabling materials modeling, analysis, predictions, and graphical visualization. Topics such as crystallography, solid state chemistry, and surface science are brought together to enable effective modeling of solid state. Basic concepts related to programming and scripting, and basis of computational chemistry included. P/NP or letter grading.</p>

Chemistry and Biochemistry

Combining rigorous, inclusive pedagogy with opportunities for co-curricular activities—including research, internships, and community engagement—the College provides students with diverse learning experiences that helps them thrive, become critical thinkers, and transform society.

College of Letters and Science

Chemistry is concerned with the composition, structure, and properties of substances, the transformations of these substances into others by reactions, and the kinds of energy changes that accompany these reactions.

General Catalog

Computational Tools for Materials Modeling and Discovery

CHEM 50

4 units