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• A foundation model for atomistic materials chemistry
  2024 · 246 citations
• Infrared spectra at coupled cluster accuracy from neural network representations
  2022 · 37 citations
• Introduction to machine learning potentials for atomistic simulations
  2024 · 25 citations
• Understanding the anomalously low dielectric constant of confined water: an ab initio study
  2022 · 6 citations
• Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
  2022 · 4 citations
• PLUMED Tutorials: a collaborative, community-driven learning ecosystem
  2024 · 2 citations
• False Metallization in Short-Ranged Machine Learned Interatomic Potentials
  2026 · 1 citations
• From Accurate Quantum Chemistry to Converged Thermodynamics for Ion Pairing in Solution
  2026
• Cutting Through the Noise: On-the-fly Outlier Detection for Robust Training of Machine Learning Interatomic Potentials
  2026
• Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
  2025
• Clay Edges Are Dynamic Proton-conducting Networks Modulated by Structure and pH
  2025
• CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism
  2025
• The Wetting of H$_2$O by CO$_2$
  2024
• Neural Network Interaction Potentials for para-Hydrogen with Flexible Molecules
  2022