Cite this work
Researchers should cite this work as follows:
Burton Morgan 121, Purdue University, West Lafayette, IN
- 1st principles
- materials science
- MD simulations
- molecular dynamics
- simulation and modeling
- Summer School
|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)|
|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)|
|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.