INTRODUCTION TO COMPUTATIONAL MATERIALS.

Catalog description

This course provides fundamentals of computational materials sciences, such as molecular dynamics, first-principles calculation, density functional theory and phase-field simulation. This course will also provide students with hands-on experience using different materials simulation method including XMD, Quantum Espresso, VASP and phase-field modeling to study different problems such as energy calculation, melting and sintering, vacancy diffusion and phase transition. Prerequisite: Department consent and must be in a college of engineering professional program or college of science professional program.