Resources
INTRODUCTORY MATERIALS
BASICS OF DFT
Introduction to DFT - D. Joubert
Electrons in Periodic Structures - S. Narasimhan
Plane Waves and Electrons in Periodic Solids - S. Narasimhan
Brillouin Zone Sums - S. Narasimhan
Forces - Using them and calculating them - S. Narasimhan
Theory and Practice of Pseudopotentials - R. Martin
ADVANCED DFT
Introduction to Magnetism with the Density Functional Theory - M. Alouani
Exchange-Correlation Functionals - R. Martin
Self-interaction in DFT - N. Marzari
Localized Basis Sets I - L. Kantorovich
Localized Basis Sets II - L. Kantorovich
Efficient iterative methods for electronic structure computation - R. Martin
QUANTUM ESPRESSO BASICS
The SCF Loop and Input Parameters - S. Narasimhan & S. Scandolo
DFT Practice - Metals, Kpoints and all that - N. Marzari
Magnetism and Magnetic Systems - P. Giannozzi
Forces and Structural Optimization - P. Giannozzi
Stress, Enthalpy and Variable Cell Shape Optimization - P. Giannozzi
PHONONS
Linear response and phonon calculations - P. Giannozzi
MOLECULAR DYNAMICS
Molecular Dynamics: A Brief Introduction - R. Car
Ab-initio Molecular Dynamics - R. Car
More on Ab-initio Molecular Dynamics - R. Car
Energy minimization and Car-Parrinello Approaches - R. Martin
TD-DFT
Optical excitations and charge transfer from TD-DFT - R. Gebauer
OTHER TOPICS
Physics of Matter at High Pressure - R. Martin
Application: TiO2 Catalysis - A. Selloni
COMPUTATIONAL ASPECTS
Introduction to Parallel and High Performance Computing - M. Kuttel