Computational Tools for Materials Modeling and Discovery

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.