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Oct 08, 2024
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MTLE 4500 - Computational Materials Design
This course will provide the background and a set of examples of how computational methods can be applied to design of materials with desired structure and properties. The methods will span multi-length and time scales, including first-principles approaches, molecular dynamics simulations, stochastic methods for optimization and sampling, and computational thermodynamics. Lectures will be complemented by computer labs with hands-on exercises using publicly available or commercial software packages.
Prerequisites/Corequisites: Undergraduates must have junior standing or permission of the instructor.
When Offered: Fall term annually.
Credit Hours: 3
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