3 research outputs found
Quantum Simulation of Polarized Light-induced Electron Transfer with A Trapped-ion Qutrit System
Electron transfer within and between molecules is crucial in chemistry,
biochemistry, and energy science. This study describes a quantum simulation
method that explores the influence of light polarization on the electron
transfer between two molecules. By implementing precise and coherent control
among the quantum states of trapped atomic ions, we can induce quantum dynamics
that mimic the electron transfer dynamics in molecules. We use -level
systems (qutrits), rather than traditional two-level systems (qubits) to
enhance the simulation efficiency and realize high-fidelity simulations of
electron transfer dynamics. We treat the quantum interference between the
electron coupling pathways from a donor with two degenerate excited states to
an acceptor and analyze the transfer efficiency. We also examine the potential
error sources that enter the quantum simulations. The trapped ion systems have
favorable scalings with system size compared to those of classical computers,
promising access to electron-transfer simulations of increasing richness.Comment: 9 pages, 6 figure
Trapped-ion quantum simulations for condensed-phase chemical dynamics: seeking a quantum advantage
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
classical-digital algorithms and analog-quantum simulation on noisy hardware is
needed. In this Perspective, we make this comparison for the simulation of
model molecular Hamiltonians that describe intrinsically quantum models for
molecules that possess linear vibronic coupling, comparing the accuracy and
computational cost. 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
toward the use of trapped-ion simulators beyond the reach of classical-digital
methods. Finally, we identify dynamical regimes where classical-digital
simulations seem to have the weakest performance compared to analog-quantum
simulations. These regimes may provide the lowest hanging fruit to exploit
potential quantum advantages.Comment: 23 pages, 6 figure