SLIDES OF THE LECTURES
Week 2
- S. Sandolo
- Introduction
- Forces: Calculating Them, Using Them
- Supercells
- Ab inition Simulations of matter at extreme condition
- S. Baroni
- Zen and the art of the computing simulation
- Modeling materials using quantum mechanics and digital computers: variational principles, the Hellmann-Feynman theorem, density-functional theory
- Ab intio colors
- R. Gebauer
- Introduction to DFT and Quantum Espresso
- K-points and Metals
- Pseudopotentials
- Metal Magnetic Systems
- Photovoltaics: Computer simulations of structural and optical properties of a dye sensitized solar cell
- A. Hernandez
Week 3
- J. Kohanoff
- Introduction to Molecular Simulations
- Simplified Methods for Electronic Structure Calculations
- Ab initio MD
- Electronic Structure with DFT: GGA and beyond
- DNA damage
- A self-consistent tight-binding approach for the study of the chemical reactions in heterogeneous enviroments
- The life and times of the electron
- L. Martin Samos
- E. Menendez
Tutorials
- Alexander Hernández
- Eduardo Menéndez
- Moreno Baricevic
