MatterSim from great MSR colleagues is really accurate!
Paola Gori Giorgi
📣 We've benchmarked 7 leading universal Machine Learning Interatomic Potentials on their ability to predict phonon properties across ~10,000 semiconductors
Some models are already matching DFT accuracy (MatterSim) while others need work (ORB, OMat24)
Read here: arxiv.org/abs/2412.16551
#compchem
