Atomistic Material Science

By Alejandro Strachan

Materials Engineering, Purdue University, West Lafayette, IN

Lecture Number/Topic Online Lecture Video Lecture Notes Supplemental Material Suggested Exercises
Tutorial 1: Atomistic Material Science - ab initio simulations of materials View Flash View Notes
This lecture introduces first principles electronic structure calculations of materials properties. It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and...

Tutorial 2: Atomistic Material Science - Molecular Dynamics simulations of materials View Flash View Notes
This lecture introduces the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.