Pennylane: Automatic differentiation of hybrid quantum-classical computations V Bergholm, J Izaac, M Schuld, C Gogolin, S Ahmed, V Ajith, MS Alam, ... arXiv preprint arXiv:1811.04968, 2018 | 1038 | 2018 |
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of chemical physics 152 (12), 2020 | 346 | 2020 |
Quantum-inspired algorithms in practice JM Arrazola, A Delgado, BR Bardhan, S Lloyd Quantum 4, 307, 2020 | 150 | 2020 |
Universal quantum circuits for quantum chemistry JM Arrazola, O Di Matteo, N Quesada, S Jahangiri, A Delgado, N Killoran Quantum 6, 742, 2022 | 69 | 2022 |
Pennylane: Automatic differentiation of hybrid quantum-classical computations. arXiv 2018 V Bergholm, J Izaac, M Schuld, C Gogolin, S Ahmed, V Ajith, MS Alam, ... arXiv preprint arXiv:1811.04968, 2018 | 58 | 2018 |
Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer A Delgado, PAM Casares, R Dos Reis, MS Zini, R Campos, ... Physical Review A 106 (3), 032428, 2022 | 54 | 2022 |
Variational quantum algorithm for molecular geometry optimization A Delgado, JM Arrazola, S Jahangiri, Z Niu, J Izaac, C Roberts, N Killoran Physical Review A 104 (5), 052402, 2021 | 46 | 2021 |
Sukin Sim, Arshpreet Singh, Ingrid Strandberg, Jay Soni, Antal Száva, Slimane Thabet, Rodrigo A V Bergholm, J Izaac, M Schuld, C Gogolin, S Ahmed, V Ajith, MS Alam, ... Vargas-Hernández, Trevor Vincent, Nicola Vitucci, Maurice Weber, David …, 2022 | 45 | 2022 |
Quantum algorithm for simulating molecular vibrational excitations S Jahangiri, JM Arrazola, N Quesada, A Delgado Physical Chemistry Chemical Physics 22 (44), 25528-25537, 2020 | 37 | 2020 |
Bioinspired gelatin/bioceramic composites loaded with bone morphogenetic protein-2 (BMP-2) promote osteoporotic bone repair MC Echave, I Erezuma, N Golafshan, M Castilho, FB Kadumudi, ... Biomaterials advances 134, 112539, 2022 | 27 | 2022 |
Adequacy of Si: P chains as Fermi–Hubbard simulators A Dusko, A Delgado, A Saraiva, B Koiller npj Quantum Information 4 (1), 1, 2018 | 25 | 2018 |
Differentiable quantum computational chemistry with PennyLane JM Arrazola, S Jahangiri, A Delgado, J Ceroni, J Izaac, A Száva, U Azad, ... arXiv preprint arXiv:2111.09967, 2021 | 24 | 2021 |
Charge Separation Dynamics and Opto‐Electronic Properties of a Diaminoterephthalate‐C60 Dyad S Pittalis, A Delgado, J Robin, L Freimuth, J Christoffers, C Lienau, ... Advanced Functional Materials 25 (13), 2047-2053, 2015 | 24 | 2015 |
Electronic Raman scattering in quantum dots revisited A Delgado, A Gonzalez, DJ Lockwood Solid state communications 135 (9-10), 554-562, 2005 | 24 | 2005 |
The absorption spectrum of C60 in n-hexane solution revisited: Fitted experiment and TDDFT/PCM calculations E Menéndez-Proupin, A Delgado, AL Montero-Alejo, JMG De La Vega Chemical Physics Letters 593, 72-76, 2014 | 23 | 2014 |
Semiquantitative theory of electronic Raman scattering from medium-size quantum dots A Delgado, A Gonzalez, DJ Lockwood Physical Review B 69 (15), 155314, 2004 | 22 | 2004 |
Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle A Delgado, S Corni, G Goldoni The Journal of Chemical Physics 139 (2), 2013 | 21 | 2013 |
Electronic excitations of C 60 aggregates AL Montero-Alejo, E Menéndez-Proupin, ME Fuentes, A Delgado, ... Physical Chemistry Chemical Physics 14 (37), 13058-13066, 2012 | 20 | 2012 |
Initial state preparation for quantum chemistry on quantum computers S Fomichev, K Hejazi, MS Zini, M Kiser, JF Morales, PAM Casares, ... arXiv preprint arXiv:2310.18410, 2023 | 17 | 2023 |
Quantum simulation of battery materials using ionic pseudopotentials MS Zini, A Delgado, R dos Reis, PAM Casares, JE Mueller, AC Voigt, ... Quantum 7, 1049, 2023 | 17 | 2023 |