Growing out of our ML4ATOMS cross-London TYC journal club, we now have a 'think-piece' on Machine-Learned Interatomic Potentials.
So far, these really are the 'killer app' for machine learning in condensed matter / chemistry, so well worth thinking where they go next!
arxiv.org/abs/2606.07327
Machine-learned interatomic potentials (MLIPs) have had a profound impact on molecular modelling in recent years, promising to resolve the long-standing tension between the scale and accuracy of simul...