MAE 6260

Multiscale Computational Mechanics

Course Description

Course information provided by the 2023-2024 Catalog.

This course will provide the foundations for applied multiscale computational mechanics through a hands-on approach. The focus will be primarily on particle-based methods that emphasize practical usages of open-source software in a Linux environment, such as Python, ORCA, Quantum Espresso, LAMMPS, and NAMD. Topics will include introductory levels of python programming, quantum mechanics, density functional theory, statistical mechanics, molecular dynamics, and multiscale coupling methods with broad applications in characterizing the structural, mechanical, and thermal properties for both organic and inorganic materials.

Prerequisites/Corequisites Prerequisite: familiarity with a programming language is essential. Knowledge of Python scripting an advantage.

Permission Note Enrollment limited to: graduate students.

Outcomes

• Students will be able to understand the mathematical and physical principles underlying various particle-based methods.
• Students will be able to identify the appropriate computational method to be used for a given spatiotemporal scale.
• Students will be able to demonstrate competency in using scripts to run software in a Linux-based environment.
• Students will be able to apply the correct techniques to analyze the relevant mechanics and properties of a given material.

When Offered Spring.

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