This course uses the theory and application of atomistic computer simulations to model, understand, and predict the properties of real materials

CILO-1: Describe the concepts and principles on theory and simulation of materials properties. CILO-2: Design and simulate the atomic models of materials for atomistic simulations. CILO-3: Summarize and explain the molecular dynamics and its applications. CILO-4: Interpret the first-principles methods such as density functional theory and quantum chemistry.