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• Micron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning
  2022 · 24 citations
• Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics
  2022 · 22 citations
• Surface roughening in nanoparticle catalysts
  2024 · 10 citations
• Atomistic evolution of active sites in multi-component heterogeneous catalysts
  2024 · 7 citations
• Unraveling the Catalytic Effect of Hydrogen Adsorption on Pt Nanoparticle Shape-Change
  2023 · 4 citations
• Active learning of reactive Bayesian force fields: Application to heterogeneous hydrogen-platinum catalysis dynamics
  2021 · 2 citations
• Complexity of Many-Body Interactions in Transition Metals via Machine-Learned Force Fields from the TM23 Data Set
  2023 · 2 citations
• Stability, mechanisms and kinetics of emergence of Au surface reconstructions using Bayesian force fields
  2023 · 2 citations
• Unbiased Atomistic Predictions of Crystal Dislocation Dynamics using Bayesian Force Fields
  2024 · 2 citations
• Revealing the proton slingshot mechanism in solid acid electrolytes through machine learning molecular dynamics
  2025 · 1 citations