Quantum chemistry in the age of quantum computing Y Cao, J Romero, JP Olson, M Degroote, PD Johnson, M Kieferová, ... Chemical reviews 119 (19), 10856-10915, 2019 | 1476 | 2019 |

Noisy intermediate-scale quantum algorithms K Bharti, A Cervera-Lierta, TH Kyaw, T Haug, S Alperin-Lea, A Anand, ... Reviews of Modern Physics 94 (1), 015004, 2022 | 1460 | 2022 |

A quantum computing view on unitary coupled cluster theory A Anand, P Schleich, S Alperin-Lea, PWK Jensen, S Sim, M Díaz-Tinoco, ... Chemical Society Reviews 51 (5), 1659-1684, 2022 | 173 | 2022 |

Transfer matrices and excitations with matrix product states V Zauner, D Draxler, L Vanderstraeten, M Degroote, J Haegeman, ... New Journal of Physics 17 (5), 053002, 2015 | 97 | 2015 |

Tequila: A platform for rapid development of quantum algorithms JS Kottmann, S Alperin-Lea, T Tamayo-Mendoza, A Cervera-Lierta, ... Quantum Science and Technology 6 (2), 024009, 2021 | 82 | 2021 |

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 | 78 | 2022 |

Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian M Degroote, TM Henderson, J Zhao, J Dukelsky, GE Scuseria Physical Review B 93 (12), 125124, 2016 | 73 | 2016 |

Mutual information-assisted adaptive variational quantum eigensolver ZJ Zhang, TH Kyaw, JS Kottmann, M Degroote, A Aspuru-Guzik Quantum Science and Technology 6 (3), 035001, 2021 | 48 | 2021 |

Efficient quantum computation of molecular forces and other energy gradients TE O'Brien, M Streif, NC Rubin, R Santagati, Y Su, WJ Huggins, JJ Goings, ... Physical Review Research 4 (4), 043210, 2022 | 47 | 2022 |

Natural evolutionary strategies for variational quantum computation A Anand, M Degroote, A Aspuru-Guzik Machine Learning: Science and Technology 2 (4), 045012, 2021 | 43 | 2021 |

Drug design on quantum computers R Santagati, A Aspuru-Guzik, R Babbush, M Degroote, L Gonzalez, ... Nature Physics 20 (4), 549-557, 2024 | 42 | 2024 |

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian JM Wahlen-Strothman, TM Henderson, MR Hermes, M Degroote, Y Qiu, ... The Journal of chemical physics 146 (5), 2017 | 40 | 2017 |

Towards the simulation of large scale protein–ligand interactions on NISQ-era quantum computers FD Malone, RM Parrish, AR Welden, T Fox, M Degroote, E Kyoseva, ... Chemical science 13 (11), 3094-3108, 2022 | 37 | 2022 |

An artificial spiking quantum neuron LB Kristensen, M Degroote, P Wittek, A Aspuru-Guzik, NT Zinner npj Quantum Information 7 (1), 59, 2021 | 29 | 2021 |

Noise robustness and experimental demonstration of a quantum generative adversarial network for continuous distributions A Anand, J Romero, M Degroote, A Aspuru‐Guzik Advanced Quantum Technologies 4 (5), 2000069, 2021 | 28* | 2021 |

Faddeev random-phase approximation for molecules M Degroote, D Van Neck, C Barbieri Physical Review A—Atomic, Molecular, and Optical Physics 83 (4), 042517, 2011 | 24 | 2011 |

Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices H van Aggelen, B Verstichel, G Acke, M Degroote, P Bultinck, PW Ayers, ... Computational and Theoretical Chemistry 1003, 50-54, 2013 | 20 | 2013 |

A molecular computing approach to solving optimization problems via programmable microdroplet arrays SY Guo, P Friederich, Y Cao, TC Wu, CJ Forman, D Mendoza, ... Matter 4 (4), 1107-1124, 2021 | 15 | 2021 |

Accuracy of the Faddeev random phase approximation for light atoms C Barbieri, D Van Neck, M Degroote Physical Review A—Atomic, Molecular, and Optical Physics 85 (1), 012501, 2012 | 11 | 2012 |

Fault-tolerant quantum computation of molecular observables M Steudtner, S Morley-Short, W Pol, S Sim, CL Cortes, M Loipersberger, ... Quantum 7, 1164, 2023 | 10 | 2023 |