Quantum simulation of conical intersections

Abstract

We explore the simulation of conical intersections (CIs) on quantum devices, setting the groundwork for potential applications in nonadiabatic quantum dynamics within molecular systems.

Quantum Computation of Conical Intersections on a Programmable Superconducting Quantum Processor

“…This motivates the development of hybrid quantum-classical (HQC) algorithms, such as the variational quantum eigensolver (VQE), which requires shallower circuits and less coherence time, although at the expense of additional classical computational resources. Variational HQC algorithms have been developed to compute the ground state of molecules, ,− excited states, − and molecular response properties − and perform ab initio molecular dynamics. , …”