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• Projectability disentanglement for accurate and automated electronic-structure Hamiltonians
  2023 · 23 citations
• Predicting electronic screening for fast Koopmans spectral functional calculations
  2024 · 4 citations
• Electrostatic interactions in atomistic and machine-learned potentials for polar materials
  2024 · 3 citations
• The rule of four: anomalous stoichiometries of inorganic compounds
  2023 · 2 citations
• Teaching oxidation states to neural networks
  2024 · 1 citations
• Spectral Operator Representations
  2024 · 1 citations
• AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions
  2025
• Thermodynamics and dielectric response of $\textBaTiO_3$ by data-driven modeling
  2021
• Optimizing ionic conductivity of lithium in Li$_7$PS$_6$ argyrodite via dopant engineering
  2024