684 citations · 2.5k across the 32 of their papers we have counts for
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physics.chem-ph2024
Random Spin Committee Approach For Smooth Interatomic Potentials
Vlad Cărare, Volker L. Deringer, Gábor Csányi
Training interatomic potentials for spin-polarized systems continues to be a difficult task for the molecular modeling community. In this note, a proof-of-concept, random initial s…
physics.chem-ph2024★ 249 cited
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…