MSE 5720

Computational Materials Science

Course Description

Course information provided by the 2023-2024 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: ECE 4060, MSE 3030 or MSE 6010 or equivalent.

When Offered Spring.

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