| 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 | 1300 | 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 | 1138 | 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 | 1034 | 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 | 314* | 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 | 273 | 2019 |
| 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 | 256* | 2023 |
| 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 | 218 | 2022 |
| Emerging quantum computing algorithms for quantum chemistry M Motta, JE Rice Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (3), e1580, 2022 | 216 | 2022 |
| 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 | 201 | 2018 |
| 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 | 184 | 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 | 183* | 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 | 174 | 2021 |
| Chemistry beyond the scale of exact diagonalization on a quantum-centric supercomputer J Robledo-Moreno, M Motta, H Haas, A Javadi-Abhari, P Jurcevic, ... Science Advances 11 (25), eadu9991, 2025 | 155* | 2025 |
| 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 | 135 | 2020 |
| Quantum-centric supercomputing for materials science: A perspective on challenges and future directions Y Alexeev, M Amsler, MA Barroca, S Bassini, T Battelle, D Camps, ... Future Generation Computer Systems 160, 666-710, 2024 | 125 | 2024 |
| 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 | 115 | 2020 |
| Quantum-enhanced Markov chain Monte Carlo D Layden, G Mazzola, RV Mishmash, M Motta, P Wocjan, JS Kim, ... Nature 619 (7969), 282-287, 2023 | 114 | 2023 |
| 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 | 111 | 2021 |
| Quantum filter diagonalization with compressed double-factorized hamiltonians J Cohn, M Motta, RM Parrish PRX Quantum 2 (4), 040352, 2021 | 93 | 2021 |
| Exact and efficient Lanczos method on a quantum computer W Kirby, M Motta, A Mezzacapo Quantum 7, 1018, 2023 | 92 | 2023 |
