Quantum optimization: Potential, challenges, and the path forward A Abbas, A Ambainis, B Augustino, A Bärtschi, H Buhrman, C Coffrin, ... arXiv preprint arXiv:2312.02279, 2023 | 32 | 2023 |
Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy? BCB Symons, DJ Williamson, CM Brooks, AL Wilson, PLA Popelier ChemistryOpen 8 (5), 560-570, 2019 | 32 | 2019 |
DL_FFLUX: a parallel, quantum chemical topology force field BCB Symons, MK Bane, PLA Popelier Journal of Chemical Theory and Computation 17 (11), 7043-7055, 2021 | 27 | 2021 |
A FFLUX water model: Flexible, polarizable and with a multipolar description of electrostatics ZE Hughes, E Ren, JCR Thacker, BCB Symons, AF Silva, PLA Popelier Journal of Computational Chemistry 41 (7), 619-628, 2020 | 25 | 2020 |
Application of quantum chemical topology force field FFLUX to condensed matter simulations: liquid water BCB Symons, PLA Popelier Journal of Chemical Theory and Computation 18 (9), 5577-5588, 2022 | 20 | 2022 |
On the many‐body nature of intramolecular forces in FFLUX and its implications A Konovalov, BCB Symons, PLA Popelier Journal of Computational Chemistry 42 (2), 107-116, 2021 | 12 | 2021 |
A practitioner’s guide to quantum algorithms for optimisation problems BCB Symons, D Galvin, E Sahin, V Alexandrov, S Mensa Journal of Physics A: Mathematical and Theoretical 56 (45), 453001, 2023 | 11 | 2023 |
Quantum optimization: Potential, challenges, and the path forward (2023) A Abbas, A Ambainis, B Augustino, A Bärtschi, H Buhrman, C Coffrin, ... arXiv preprint arXiv:2312.02279, 0 | 11 | |
Flexible multipole moments in smooth particle mesh Ewald BCB Symons, PLA Popelier The Journal of chemical physics 156 (24), 2022 | 8 | 2022 |
Nonadiabatic nuclear–electron dynamics: a quantum computing approach A Kovyrshin, M Skogh, L Tornberg, A Broo, S Mensa, E Sahin, ... The Journal of Physical Chemistry Letters 14 (31), 7065-7072, 2023 | 4 | 2023 |
REG-MULTI: Lifting the veil on electrostatic interactions F Falcioni, BCB Symons, PLA Popelier Adv. Quantum Chem 10, 2023 | 4 | 2023 |
Toward Accurate Post-Born–Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals A Nykänen, A Miller, W Talarico, S Knecht, A Kovyrshin, M Skogh, ... Journal of Chemical Theory and Computation 19 (24), 9269-9277, 2023 | 2 | 2023 |
Efficient Parameter Optimisation for Quantum Kernel Alignment: A Sub-sampling Approach in Variational Training ME Sahin, BCB Symons, P Pati, F Minhas, D Millar, M Gabrani, ... arXiv preprint arXiv:2401.02879, 2024 | 1 | 2024 |
Boosted Imaginary Time Evolution of Matrix Product States BCB Symons, D Manawadu, D Galvin, S Mensa arXiv preprint arXiv:2405.04959, 2024 | | 2024 |
Development and early application of the quantum chemical topology force field FFLUX BCB Symons The University of Manchester, Manchester, UK, 2022 | | 2022 |
FFLUX: on knowledgeable quantum atoms P Popelier, M Burn, B Symons, A Wilson, Z Hughes Report on the Workshop “Developing High-Dimensional Potential Energy …, 0 | | |