| Qiskit: An open-source framework for quantum computing G Aleksandrowicz, T Alexander, P Barkoutsos, L Bello, Y Ben-Haim, ... Accessed on: Mar 16, 61, 2019 | 928 | 2019 |
| Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor PJ Ollitrault, A Kandala, CF Chen, PK Barkoutsos, A Mezzacapo, ... Physical Review Research 2 (4), 043140, 2020 | 203 | 2020 |
| Gate-efficient simulation of molecular eigenstates on a quantum computer M Ganzhorn, DJ Egger, P Barkoutsos, P Ollitrault, G Salis, N Moll, M Roth, ... Physical Review Applied 11 (4), 044092, 2019 | 168 | 2019 |
| Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents? IO Sokolov, PK Barkoutsos, PJ Ollitrault, D Greenberg, J Rice, M Pistoia, ... The Journal of chemical physics 152 (12), 2020 | 160 | 2020 |
| Molecular quantum dynamics: A quantum computing perspective PJ Ollitrault, A Miessen, I Tavernelli Accounts of Chemical Research 54 (23), 4229-4238, 2021 | 92 | 2021 |
| Hardware Efficient Quantum Algorithms for Vibrational Structure Calculations PJ Ollitrault, A Baiardi, M Reiher, I Tavernelli Chemical Science, 2020 | 91 | 2020 |
| Nonadiabatic molecular quantum dynamics with quantum computers PJ Ollitrault, G Mazzola, I Tavernelli Physical Review Letters 125 (26), 260511, 2020 | 83 | 2020 |
| Quantum algorithms for quantum dynamics A Miessen, PJ Ollitrault, F Tacchino, I Tavernelli Nature Computational Science 3 (1), 25-37, 2023 | 66 | 2023 |
| Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems M Rossmannek, PK Barkoutsos, PJ Ollitrault, I Tavernelli The Journal of Chemical Physics 154 (11), 2021 | 66 | 2021 |
| Quantum algorithms for quantum dynamics: A performance study on the spin-boson model A Miessen, PJ Ollitrault, I Tavernelli Physical Review Research 3 (4), 043212, 2021 | 49 | 2021 |
| Nonunitary operations for ground-state calculations in near-term quantum computers G Mazzola, PJ Ollitrault, PK Barkoutsos, I Tavernelli Physical review letters 123 (13), 130501, 2019 | 47 | 2019 |
| Improved accuracy on noisy devices by nonunitary variational quantum eigensolver for chemistry applications F Benfenati, G Mazzola, C Capecci, PK Barkoutsos, PJ Ollitrault, ... Journal of Chemical Theory and Computation 17 (7), 3946-3954, 2021 | 31 | 2021 |
| Quantum algorithm for alchemical optimization in material design PK Barkoutsos, F Gkritsis, PJ Ollitrault, IO Sokolov, S Woerner, I Tavernelli Chemical science 12 (12), 4345-4352, 2021 | 30 | 2021 |
| Charge transport in highly ordered organic nanofibrils: lessons from modelling G Gryn’ova, A Nicolaï, A Prlj, P Ollitrault, D Andrienko, C Corminboeuf Journal of Materials Chemistry C 5 (2), 350-361, 2017 | 26 | 2017 |
| One-particle Green's functions from the quantum equation of motion algorithm J Rizzo, F Libbi, F Tacchino, PJ Ollitrault, N Marzari, I Tavernelli Physical Review Research 4 (4), 043011, 2022 | 21 | 2022 |
| Quantum algorithms for grid-based variational time evolution PJ Ollitrault, S Jandura, A Miessen, I Burghardt, R Martinazzo, F Tacchino, ... Quantum 7, 1139, 2023 | 19 | 2023 |
| Guidelines and diagnostics for charge carrier tuning in thiophene-based wires G Gryn'ova, PJ Ollitrault, C Corminboeuf Physical Chemistry Chemical Physics 19 (34), 23254-23259, 2017 | 13 | 2017 |
| Enhancing initial state overlap through orbital optimization for faster molecular electronic ground-state energy estimation PJ Ollitrault, CL Cortes, JF Gonthier, RM Parrish, D Rocca, GL Anselmetti, ... arXiv preprint arXiv:2404.08565, 2024 | 7 | 2024 |
| Reducing the runtime of fault-tolerant quantum simulations in chemistry through symmetry-compressed double factorization D Rocca, CL Cortes, JF Gonthier, PJ Ollitrault, RM Parrish, GL Anselmetti, ... Journal of Chemical Theory and Computation, 2024 | 6 | 2024 |
| Estimation of electrostatic interaction energies on a trapped-ion quantum computer PJ Ollitrault, M Loipersberger, RM Parrish, A Erhard, C Maier, C Sommer, ... ACS Central Science 10 (4), 882-889, 2024 | 5 | 2024 |
