Seeking a quantum advantage with trapped-ion quantum simulations of condensed-phase chemical dynamics.

Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond the reach of current classical-digital simulation. To identify a 'quantum advantage' for these simulations, performance analysis of both analog-quantum simulation on noisy hardware and classical-digital algorithms is needed. In this Review, we make a comparison between a noisy analog trapped-ion simulator and a few choice classical-digital methods on simulating the dynamics of a model molecular Hamiltonian with linear vibronic coupling. We describe several simple Hamiltonians that are commonly used to model molecular systems, which can be simulated with existing or emerging trapped-ion hardware. These Hamiltonians may serve as stepping stones towards the use of trapped-ion simulators for systems beyond the reach of classical-digital methods. Finally, we identify dynamical regimes in which classical-digital simulations seem to have the weakest performance with respect to analog-quantum simulations. These regimes may provide the lowest hanging fruit to make the most of potential quantum advantages.

Quantum simulation of conical intersections using trapped ions.

Conical intersections often control the reaction products of photochemical processes and occur when two electronic potential energy surfaces intersect. Theory predicts that the conical intersection will result in a geometric phase for a wavepacket on the ground potential energy surface, and although conical intersections have been observed experimentally, the geometric phase has not been directly observed in a molecular system. Here we use a trapped atomic ion system to perform a quantum simulation of a conical intersection. The ion's internal state serves as the electronic state, and the motion of the atomic nuclei is encoded into the motion of the ions. The simulated electronic potential is constructed by applying state-dependent optical forces to the ion. We experimentally observe a clear manifestation of the geometric phase using adiabatic state preparation followed by motional state measurement. Our experiment shows the advantage of combining spin and motion degrees for quantum simulation of chemical reactions.

Determination of Multimode Motional Quantum States in a Trapped Ion System.

Trapped atomic ions are a versatile platform for studying interactions between spins and bosons by coupling the internal states of the ions to their motion. Measurement of complex motional states with multiple modes is challenging, because all motional state populations can only be measured indirectly through the spin state of ions. Here we present a general method to determine the Fock state distributions and to reconstruct the density matrix of an arbitrary multimode motional state. We experimentally verify the method using different entangled states of multiple radial modes in a five-ion chain. This method can be extended to any system with Jaynes-Cummings-type interactions.