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• A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules
  2019 · 111 citations
• OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
  2021 · 7 citations
• Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
  2018
• OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features
  2020
• Informing Geometric Deep Learning with Electronic Interactions to Accelerate Quantum Chemistry
  2021