Computational Nanoscience (2017)
- (04/05/17) Introduction to Computing I -- Cody
- Linux
- bash scripts
- cluster use
- (04/07/17) Introduction to Computing II -- Cody
- plotting software
- fortran
- (04/12/17) Introduction to Quantum Mechanics -- Cody
- Schrodinger equation
- expectation values
- simple examples
- Variational Principle
- Bra-Ket notation
- (04/14/17) Computing with Basis Functions -- Daniel
- real space grid
- Ritz method
- Gaussian basis functions
- complex Gaussians
- stochastic variational method
- (04/19/17) Density Functional Theory and Computing in K-Space -- Daniel
- Many-body Schrodinger equation
- Time-independent Kohn-Sham equation
- Solving problems using density functional theory
- Defining k-space
- Doing math in k-space
- (04/21/17) Time-Dependent Problems -- Daniel?
- Time-dependent Schrodinger equation
- Time propagation
- Time-dependent density functional theory
- Molecular dynamics