Recent developments in the P y SCF program package

• Error Mitigation and Circuit Division for Early Fault-Tolerant Quantum Phase Estimation

  2025 PRX Quantum article Computer Science Quantum Computing Algorithms and Architecture Open access

  4

  citations
• Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding

  2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access

  24

  citations
• FragPT2: Multifragment Wave Function Embedding with Perturbative Interactions

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  6

  citations
• A hybrid quantum algorithm to detect conical intersections

  2024 Quantum article Computer Science Quantum Computing Algorithms and Architecture Open access

  11

  citations
• Multi-center decomposition of molecular densities: A mathematical perspective

  2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  11

  citations

5 results

• OpenFermion: the electronic structure package for quantum computers

  2020 Quantum Science and Technology article Computer Science Quantum Computing Algorithms and Architecture Open access cited by 6 patents

  466

  citations

1 result