Benchmarking Machine-Learning Interatomic Potentials for Dynamical Stability in Inorganic Semiconductor Nanocrystals: A CdSe Case Study

M. Usman, M. Suleymanova, Z. U. Abideen +2

Machine-learning interatomic potentials (MLIPs) enable nanosecond-scale atomistic simulations of inorganic semiconductor nanocrystals, but low errors on held-out configurations do…