 Electronic excited states from physically-constrained machine learningACS Central Science (ACS Cent. Sci.), 2023 |
 Evaluation of the MACE Force Field Architecture: from Medicinal
Chemistry to Materials ScienceJournal of Chemical Physics (JCP), 2023 |
 Wigner kernels: body-ordered equivariant machine learning without a
basisJournal of Chemical Physics (JCP), 2023 |
 Completeness of Atomic Structure RepresentationsAPL Machine Learning (AML), 2023 |
 A smooth basis for atomistic machine learningJournal of Chemical Physics (JCP), 2022 |
 MACE: Higher Order Equivariant Message Passing Neural Networks for Fast
and Accurate Force FieldsNeural Information Processing Systems (NeurIPS), 2022 |
