QUIP Overview Tutorials

• Motivation
• The QUIP code
• Code philosophy and goals
  • History
  • Current status
• Code Availability
  • License
  • Building from source
  • Binary Installation
  • Docker and Singularity containers
• QUIP Features
• QUIP data model
• Standalone QUIP usage
• Usage with LAMMPS
• Using QUIP with Python and the Atomic Simulation Environment
• Atomic Simulation Environment (ASE)
• quippy demo: analysing GAP models with predictive variance
• Atomic Environment Descriptors
• Kernel PCA
• Deep wrapping demo: Tight Binding matrix elements
  • Post-processing example: density of states
• Integration with other Python packages
• Generalisation: f90wrap wraps other Fortran codes