janus-tutorials

Set of tutorials to use MLIPs:

• Single Point
• Geometry Optimization
• Molecular Dynamics
• Equation of State
• Phonons

Source code and additional documentation can be found in the janus-core repository.

Tutorials to use MLIPs through AiiDA:

• Setup janus code for aiida-mlip
• Single point calculation
• Geometry optimisation
• High-throughput screening

Source code and additional documentation can be found in the aiida-mlip repository.