Computational Nanoscience (2017)

    1. (04/05/17) Introduction to Computing I -- Cody
    • Linux
    • bash scripts
    • cluster use
  1. (04/07/17) Introduction to Computing II -- Cody
    • plotting software
    • fortran
    1. (04/12/17) Introduction to Quantum Mechanics -- Cody
      • Schrodinger equation
      • expectation values
      • simple examples
      • Variational Principle
      • Bra-Ket notation
    2. (04/14/17) Computing with Basis Functions -- Daniel
    • real space grid
    • Ritz method
    • Gaussian basis functions
    • complex Gaussians
    • stochastic variational method
    1. (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
    2. (04/21/17) Time-Dependent Problems -- Daniel?
      • Time-dependent Schrodinger equation
      • Time propagation
      • Time-dependent density functional theory
      • Molecular dynamics