Publications by authors named "Sarah O Whelan"
Angew Chem Int Ed Engl
May 2022
Article Synopsis
- The study investigates the T → S transition energies in phosphorescent iridium complexes using the iterative qubit coupled cluster (iQCC) method to assess the potential advantages of quantum simulations over classical techniques.
- The iQCC method was tested on a quantum simulator created for classical hardware due to the lack of accessible quantum computers with sufficient qubits.
- Results show that iQCC achieves high accuracy comparable to the best DFT functionals, suggesting it could be useful for designing organometallic complexes on future quantum devices and highlights a significant benchmark for achieving quantum superiority.
