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20062023
most citedRecent developments in the PySCF program package

1.2k citations · 13.4k across the 132 of their papers we have counts for

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17 papers · 1 filter

quant-ph2023★ 89 cited

Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance

Tomislav Begušić, Johnnie Gray, Garnet Kin-Lic Chan

A recent quantum simulation of observables of the kicked Ising model on 127 qubits implemented circuits that exceed the capabilities of exact classical simulation. We show that sev…

quant-ph2023

Adiabatic quantum imaginary time evolution

Kasra Hejazi, Mario Motta, Garnet Kin-Lic Chan

We introduce an adiabatic state preparation protocol which implements quantum imaginary time evolution under the Hamiltonian of the system. Unlike the original quantum imaginary ti…

quant-ph2023★ 3 cited

Simulating quantum circuit expectation values by Clifford perturbation theory

Tomislav Begušić, Kasra Hejazi, Garnet Kin-Lic Chan

The classical simulation of quantum circuits is of central importance for benchmarking near-term quantum devices. The fact that gates belonging to the Clifford group can be simulat…

quant-ph2023★ 15 cited

Fast classical simulation of evidence for the utility of quantum computing before fault tolerance

Tomislav Begušić, Garnet Kin-Lic Chan

We show that a classical algorithm based on sparse Pauli dynamics can efficiently simulate quantum circuits studied in a recent experiment on 127 qubits of IBM's Eagle processor [N…

quant-ph2023

Fermionic reduced density low-rank matrix completion, noise filtering, and measurement reduction in quantum simulations

Linqing Peng, Xing Zhang, Garnet Kin-Lic Chan

Fermionic reduced density matrices summarize the key observables in fermionic systems. In electronic systems, the two-particle reduced density matrix (2-RDM) is sufficient to deter…

quant-ph2023★ 19 cited

Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions

Ryan V. Mishmash, Tanvi P. Gujarati, Mario Motta +3

The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bas…