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• MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
  2022 · 293 citations
• A foundation model for atomistic materials chemistry
  2024 · 246 citations
• The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
  2022 · 102 citations
• Performant implementation of the atomic cluster expansion (PACE): Application to copper and silicon
  2021 · 11 citations
• Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials
  2022 · 9 citations
• Transferable Machine Learning Potential X-MACE for Excited States using Integrated DeepSets
  2025 · 4 citations
• Equivariant Matrix Function Neural Networks
  2023 · 3 citations
• A General Framework for Equivariant Neural Networks on Reductive Lie Groups
  2023 · 2 citations
• A Theoretical Case Study of the Generalisation of Machine-learned Potentials
  2023 · 2 citations
• Self-consistent Coulomb interactions for machine learning interatomic potentials
  2024 · 2 citations
• Many-Body Coarse-Grained Molecular Dynamics with the Atomic Cluster Expansion
  2025 · 1 citations
• Tensor-reduced atomic density representations
  2022
• A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects
  2022