EECE /MSE 580K Quantum Mechanical Computation of Materials
EECE/MSE 535X Quantum Physics of Semiconductor Materials (New graduate level course proposed by Dr. Wang)
EECE 580K Quantum Mechanical Computation of Materials (New graduate level course proposed by Dr. Wang)
Quantum mechanical description of materials is important to understand structure-property-performance relationships in materials science. Theoretical computation is a power tool and complementary approach to experiments. This course will firstly provide an overview of quantum mechanics and solid-state physics that are important to the understanding of basic concepts underlying the computational methods. We will then introduce foundations of density functional theory and discuss practical implementations: students will learn to run the actual first-principles computational code VASP (https://www.vasp.at/) on supercomputers, interpret and present the results. We will illustrate examples to show how computational methods can be used to understand materials structures, defects, and functions for real-world applications, including recent literatures in renewable energy, electronics, and quantum information.