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Researchers should cite this work as follows:
Alejandro Strachan (2011), "Atomistic Material Science," https://nanohub.org/resources/11916.
Burton Morgan 121, 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.