Atomistic Material Science
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Abstract
This course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.
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“Electronics from the Bottom Up” is an educational initiative designed to bring a new perspective to the field of nano device engineering. It is co-sponsored by the Intel Foundation and the Network for Computational Nanotechnology.
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Burton Morgan 121, Purdue University, West Lafayette, IN
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Lecture Number/Topic | Online Lecture | Video | Lecture Notes | Supplemental Material | Suggested Exercises |
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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... |
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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. |