4 papers
Optimally Weighted Constrained Shadow Tomography for Reduced Density Matrices
Yuchen Wang, Irma Avdic, Michael Rose +7
Accurate measurement of reduced density matrices (RDMs) is central to quantum simulations of many-fermion systems, but the required measurement resources remain a significant chall…
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
Correlated Purification for Restoring -Representability in Quantum Simulation
Yuchen Wang, Irma Avdic, Michael Rose +4
Classical shadow tomography offers a scalable route to estimating properties of quantum states, but the resulting reduced density matrices (RDMs) often violate constraints that ens…
Constrained Shadow Tomography for Molecular Simulation on Quantum Devices
Irma Avdic, Yuchen Wang, Michael Rose +4
Quantum state tomography is a fundamental task in quantum information science, enabling detailed characterization of correlations, entanglement, and electronic structure in quantum…