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 (pdf?d4069a6479e11d2c6a9deb03fe39d6f9=1)
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 (pdf?d4069a6479e11d2c6a9deb03fe39d6f9=1)
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.