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• Is there evidence for exponential quantum advantage in quantum chemistry?
  2022 · 20 citations
• Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework
  2025 · 12 citations
• Novel algorithms and high-performance cloud computing enable efficient fully quantum mechanical protein-ligand scoring
  2020 · 4 citations
• Reactive Chemistry at Unrestricted Coupled Cluster Level: High-throughput Calculations for Training Machine Learning Potentials
  2025 · 1 citations
• Efficient Implementation of the Random Phase Approximation with Domain-based Local Pair Natural Orbitals
  2024
• Recent developments in the PySCF program package
  2020
• Multi-site Reaction Dynamics Through Multi-fragment Density Matrix Embedding
  2022
• Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions
  2023