(metals, inhomogeneous materials, etc.)
Convergence studies and convergence analysis of DFT algorithms
Morning lectures: Advanced topics (Geneviève Dusson, Antoine Levitt, Marc Torrent)
Linear response, properties and phonons
High-performance DFT simulations
Error estimation and error control in first-principle simulations
Automatic differentiation
Lunch
Afternoon practicals: Hands-on study of advanced topics
Participants will be split into smaller groups
Each group works on a small project centred around one advanced aspect considered in the morning lectures