Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 776 | 2021 |

Suppressing quantum errors by scaling a surface code logical qubit Nature 614 (7949), 676-681, 2023 | 515 | 2023 |

Generalized unitary coupled cluster wave functions for quantum computation J Lee, WJ Huggins, M Head-Gordon, KB Whaley Journal of chemical theory and computation 15 (1), 311-324, 2018 | 434 | 2018 |

A deterministic alternative to the full configuration interaction quantum Monte Carlo method NM Tubman, J Lee, TY Takeshita, M Head-Gordon, KB Whaley The Journal of chemical physics 145 (4), 2016 | 319 | 2016 |

Time-crystalline eigenstate order on a quantum processor X Mi, M Ippoliti, C Quintana, A Greene, Z Chen, J Gross, F Arute, K Arya, ... Nature 601 (7894), 531-536, 2022 | 290 | 2022 |

Even more efficient quantum computations of chemistry through tensor hypercontraction J Lee, DW Berry, C Gidney, WJ Huggins, JR McClean, N Wiebe, ... PRX Quantum 2 (3), 030305, 2021 | 275 | 2021 |

Virtual distillation for quantum error mitigation WJ Huggins, S McArdle, TE O’Brien, J Lee, NC Rubin, S Boixo, ... Physical Review X 11 (4), 041036, 2021 | 233 | 2021 |

Unbiasing fermionic quantum Monte Carlo with a quantum computer WJ Huggins, BA O’Gorman, NC Rubin, DR Reichman, R Babbush, J Lee Nature 603 (7901), 416-420, 2022 | 171 | 2022 |

A non-orthogonal variational quantum eigensolver WJ Huggins, J Lee, U Baek, B O’Gorman, KB Whaley New Journal of Physics 22 (7), 073009, 2020 | 161 | 2020 |

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry S Lee, J Lee, H Zhai, Y Tong, AM Dalzell, A Kumar, P Helms, J Gray, ... Nature communications 14 (1), 1952, 2023 | 149 | 2023 |

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 2020 | 127 | 2020 |

Regularized orbital-optimized second-order Møller–Plesset perturbation theory: A reliable fifth-order-scaling electron correlation model with orbital energy dependent regularizers J Lee, M Head-Gordon Journal of chemical theory and computation 14 (10), 5203-5219, 2018 | 112 | 2018 |

Embedded mean-field theory ME Fornace, J Lee, K Miyamoto, FR Manby, TF Miller Journal of Chemical Theory and Computation, 2015 | 107 | 2015 |

Measurement-induced entanglement and teleportation on a noisy quantum processor Nature 622 (7983), 481-486, 2023 | 86 | 2023 |

Phase transition in random circuit sampling A Morvan, B Villalonga, X Mi, S Mandra, A Bengtsson, PV Klimov, Z Chen, ... arXiv preprint arXiv:2304.11119, 2023 | 82 | 2023 |

Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers JJ Goings, A White, J Lee, CS Tautermann, M Degroote, C Gidney, ... Proceedings of the National Academy of Sciences 119 (38), e2203533119, 2022 | 79 | 2022 |

Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states J Lee, DW Small, M Head-Gordon The Journal of chemical physics 151 (21), 2019 | 73 | 2019 |

Matchgate shadows for fermionic quantum simulation K Wan, WJ Huggins, J Lee, R Babbush Communications in Mathematical Physics 404 (2), 629-700, 2023 | 69 | 2023 |

Systematically improvable tensor hypercontraction: Interpolative separable density-fitting for molecules applied to exact exchange, second-and third-order Møller–Plesset … J Lee, L Lin, M Head-Gordon Journal of chemical theory and computation 16 (1), 243-263, 2019 | 67 | 2019 |

Noise-resilient edge modes on a chain of superconducting qubits X Mi, M Sonner, MY Niu, KW Lee, B Foxen, R Acharya, I Aleiner, ... Science 378 (6621), 785-790, 2022 | 64 | 2022 |