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• A foundation model for atomistic materials chemistry
  2024 · 246 citations
• MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
  2023 · 66 citations
• i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
  2024 · 49 citations
• Quantum dynamics using path integral coarse-graining
  2022 · 44 citations
• Introduction to machine learning potentials for atomistic simulations
  2024 · 25 citations
• MACE-POLAR-1: A Polarisable Electrostatic Foundation Model for Molecular Chemistry
  2026 · 6 citations
• Accurate nuclear quantum statistics on machine-learned classical effective potentials
  2024 · 6 citations
• Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy
  2026
• On the role of nuclear quantum effects on the stability of peptides
  2025
• CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism
  2025
• Efficient Composite Infrared Spectroscopy: Combining the Doubly-Harmonic Approximation with Machine Learning Potentials
  2024
• The Wetting of H$_2$O by CO$_2$
  2024