Phonon Calculations with Universal Machine Learning Interatomic Potentials (MLIPs)
Compile the application from GitHub: https://github.com/bracerino/mace-md-gui
Calculate phonon dispersion curves using universal machine learning interatomic potentials (MLIPs) through the uMLIP-Interactive interface.
This can be done either directly within the interface or by generating standalone Python script.
The atomic displacements associated with each phonon mode can be visualized using the output files via the phonon visualization tool available here: https://henriquemiranda.github.io/phononwebsite/phonon.html
📚 If you like the uMLIP-Interactive app, please cite: https://doi.org/10.1016/j.jmrt.2026.02.204