ME-GY 6243 Atomistic and Electronic Simulation of Materials

3 Credits

Simulation is an important tool, which complements experimental characteristics of materials by providing fundamental details at electronic, atomic, mesoscale, and macroscale resolution. This fundamental understanding then guides the experimental approach to modify the properties of the materials with a rational approach rather than stochastic approach. This course primarily focuses on predicting structure-property correlation of various materials using electronic and atomic level simulations. The course will cover density functional theory (DFT), molecular dynamic (MD) and monte carlo (MC) simulations with hands on projects using available software.

Prerequisite(s): Graduate Standing
Weekly Lecture Hours: 3