MSE 5720

Computational Materials Science

Course Description

Course information provided by the 2019-2020 Catalog.

An introduction to state-of-the-art computational methods in materials research with an emphasis on the atomic-scale and hands-on modeling using supercomputers. The course will focus primarily on firstprinciples quantum mechanical techniques (Density Functional Theory) for modeling extended (periodic) materials and properties, including electronic structure, vibrational properties, surfaces and interfaces, phase transformations and kinetics. Covers approaches to modeling a wide range of materials, including metals, ceramics and semiconductors.

Prerequisites/Corequisites Prerequisite: MSE 3030 or MSE 6010 or equivalent, MSE 5715.

When Offered Spring.

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