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physics.comp-ph2025
Committors without Descriptors
Peilin Kang, Jintu Zhang, Enrico Trizio +2
The study of rare events is one of the major challenges in atomistic simulations, and several enhanced sampling methods towards its solution have been proposed. Recently, it has be…
physics.comp-ph2025
Fast and Fourier Features for Transfer Learning of Interatomic Potentials
Pietro Novelli, Giacomo Meanti, Pedro J. Buigues +4
Training machine learning interatomic potentials that are both computationally and data-efficient is a key challenge for enabling their routine use in atomistic simulations. To thi…