Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... J. Chem. Phys. 153 (2), 024109, 2020 | 648 | 2020 |

Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution M Motta, C Sun, ATK Tan, MJ O’Rourke, E Ye, AJ Minnich, FGSL Brandao, ... Nature Physics 16 (2), 205-210, 2020 | 629 | 2020 |

Quantum algorithms for quantum chemistry and quantum materials science B Bauer, S Bravyi, M Motta, GKL Chan Chemical Reviews 120 (22), 12685-12717, 2020 | 609 | 2020 |

Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods M Motta, DM Ceperley, GKL Chan, JA Gomez, E Gull, S Guo, ... Physical Review X 7 (3), 031059, 2017 | 270 | 2017 |

Qubitization of arbitrary basis quantum chemistry leveraging sparsity and low rank factorization DW Berry, C Gidney, M Motta, JR McClean, R Babbush Quantum 3, 208, 2019 | 179 | 2019 |

Ab initio computations of molecular systems by the auxiliary‐field quantum Monte Carlo method M Motta, S Zhang Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (5), e1364, 2018 | 142 | 2018 |

Doubling the size of quantum simulators by entanglement forging A Eddins, M Motta, TP Gujarati, S Bravyi, A Mezzacapo, C Hadfield, ... PRX Quantum 3 (1), 010309, 2022 | 137 | 2022 |

Low rank representations for quantum simulation of electronic structure M Motta, E Ye, JR McClean, Z Li, AJ Minnich, R Babbush, GKL Chan npj Quantum Information 7 (1), 83, 2021 | 128* | 2021 |

Quantum computation of finite-temperature static and dynamical properties of spin systems using quantum imaginary time evolution SN Sun, M Motta, RN Tazhigulov, ATK Tan, GKL Chan, AJ Minnich PRX Quantum 2 (1), 010317, 2021 | 114 | 2021 |

Measurement-induced entanglement phase transition on a superconducting quantum processor with mid-circuit readout JM Koh, SN Sun, M Motta, AJ Minnich Nature Physics 19 (9), 1314-1319, 2023 | 106* | 2023 |

Direct comparison of many-body methods for realistic electronic Hamiltonians KT Williams, Y Yao, J Li, L Chen, H Shi, M Motta, C Niu, U Ray, S Guo, ... Physical Review X 10 (1), 011041, 2020 | 105 | 2020 |

Digital quantum simulation of open quantum systems using quantum imaginary–time evolution H Kamakari, SN Sun, M Motta, AJ Minnich PRX Quantum 3 (1), 010320, 2022 | 98 | 2022 |

Emerging quantum computing algorithms for quantum chemistry M Motta, JE Rice Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (3), e1580, 2022 | 90 | 2022 |

Quantum computation of dominant products in lithium–sulfur batteries JE Rice, TP Gujarati, M Motta, TY Takeshita, E Lee, JA Latone, JM Garcia The Journal of Chemical Physics 154 (13), 2021 | 84 | 2021 |

Ground-state properties of the hydrogen chain: Dimerization, insulator-to-metal transition, and magnetic phases M Motta, C Genovese, F Ma, ZH Cui, R Sawaya, GKL Chan, N Chepiga, ... Physical Review X 10 (3), 031058, 2020 | 83 | 2020 |

Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer M Motta, TP Gujarati, JE Rice, A Kumar, C Masteran, JA Latone, E Lee, ... Physical Chemistry Chemical Physics 22 (42), 24270-24281, 2020 | 63 | 2020 |

Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters Q Gao, GO Jones, M Motta, M Sugawara, HC Watanabe, T Kobayashi, ... npj Computational Materials 7 (1), 70, 2021 | 57 | 2021 |

One-Dimensional Liquid : Dynamical Properties beyond Luttinger-Liquid Theory G Bertaina, M Motta, M Rossi, E Vitali, DE Galli Physical review letters 116 (13), 135302, 2016 | 53 | 2016 |

Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition M Motta, J Shee, S Zhang, GKL Chan Journal of chemical theory and computation 15 (6), 3510-3521, 2019 | 52 | 2019 |

Quantum filter diagonalization with compressed double-factorized hamiltonians J Cohn, M Motta, RM Parrish PRX Quantum 2 (4), 040352, 2021 | 50 | 2021 |