| 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 | 1596 | 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 | 188 | 2022 |
| MADNESS: A multiresolution, adaptive numerical environment for scientific simulation RJ Harrison, G Beylkin, FA Bischoff, JA Calvin, GI Fann, J Fosso-Tande, ... SIAM journal on scientific computing 38 (5), S123-S142, 2016 | 120 | 2016 |
| 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 | 90 | 2021 |
| A feasible approach for automatically differentiable unitary coupled-cluster on quantum computers JS Kottmann, A Anand, A Aspuru-Guzik Chemical science 12 (10), 3497-3508, 2021 | 90 | 2021 |
| Conceptual understanding through efficient automated design of quantum optical experiments M Krenn, JS Kottmann, N Tischler, A Aspuru-Guzik Physical Review X 11 (3), 031044, 2021 | 80 | 2021 |
| Meta-variational quantum eigensolver: Learning energy profiles of parameterized hamiltonians for quantum simulation A Cervera-Lierta, JS Kottmann, A Aspuru-Guzik PRX Quantum 2 (2), 020329, 2021 | 77 | 2021 |
| Reducing qubit requirements while maintaining numerical precision for the variational quantum eigensolver: A basis-set-free approach JS Kottmann, P Schleich, T Tamayo-Mendoza, A Aspuru-Guzik The Journal of Physical Chemistry Letters 12 (1), 663-673, 2021 | 58 | 2021 |
| 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 | 52 | 2021 |
| Noisy intermediate-scale quantum (nisq) algorithms (2021) K Bharti, A Cervera-Lierta, TH Kyaw, T Haug, S Alperin-Lea, A Anand, ... arXiv preprint arXiv:2101.08448, 2021 | 49 | 2021 |
| Optimized low-depth quantum circuits for molecular electronic structure using a separable-pair approximation JS Kottmann, A Aspuru-Guzik Physical Review A 105 (3), 032449, 2022 | 44 | 2022 |
| Quantum computer-aided design of quantum optics hardware JS Kottmann, M Krenn, TH Kyaw, S Alperin-Lea, A Aspuru-Guzik Quantum Science and Technology 6 (3), 035010, 2021 | 32 | 2021 |
| Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation JS Kottmann, S Höfener, FA Bischoff Physical Chemistry Chemical Physics 17 (47), 31453-31462, 2015 | 28 | 2015 |
| Improving the accuracy of the variational quantum eigensolver for molecular systems by the explicitly-correlated perturbative [2] R12-correction P Schleich, JS Kottmann, A Aspuru-Guzik Physical Chemistry Chemical Physics 24 (22), 13550-13564, 2022 | 24 | 2022 |
| Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller–Plesset energy JS Kottmann, FA Bischoff, EF Valeev The Journal of Chemical Physics 152 (7), 2020 | 23 | 2020 |
| Coupled-cluster in real space. 1. CC2 ground state energies using multiresolution analysis JS Kottmann, FA Bischoff Journal of chemical theory and computation 13 (12), 5945-5955, 2017 | 23 | 2017 |
| Molecular quantum circuit design: A graph-based approach JS Kottmann Quantum 7, 1073, 2023 | 19 | 2023 |
| Coupled-cluster in real space. 2. CC2 excited states using multiresolution analysis JS Kottmann, FA Bischoff Journal of chemical theory and computation 13 (12), 5956-5965, 2017 | 17 | 2017 |
| Quantum computation of eigenvalues within target intervals PWK Jensen, LB Kristensen, JS Kottmann, A Aspuru-Guzik Quantum Science and Technology 6 (1), 015004, 2020 | 14 | 2020 |
| Partitioning quantum chemistry simulations with clifford circuits P Schleich, J Boen, L Cincio, A Anand, JS Kottmann, S Tretiak, PA Dub, ... Journal of Chemical Theory and Computation 19 (15), 4952-4964, 2023 | 10 | 2023 |
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verified email at utoronto.ca
