Trapped ions offer long coherence times and high fidelity, programmable quantum operations, making them a promising platform for quantum simulation of condensed matter systems, quantum dynamics, and problems related to high-energy physics. We review selected developments in trapped-ion qubits and architectures and discuss quantum simulation applications that utilize these emerging capabilities. This review emphasizes developments in digital (gate-based) quantum simulations that exploit trapped-ion hardware capabilities, such as flexible qubit connectivity, selective mid-circuit measurement, and classical feedback, to simulate models with long-range interactions, explore nonunitary dynamics, compress simulations of states with limited entanglement, and reduce the circuit depths required to prepare or simulate long-range entangled states.
more »
« less
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 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 three-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 richer electron-transfer simulations.
more »
« less
- Award ID(s):
- 2120757
- PAR ID:
- 10505853
- Publisher / Repository:
- American Chemical Society
- Date Published:
- Journal Name:
- The Journal of Physical Chemistry Letters
- Volume:
- 14
- Issue:
- 26
- ISSN:
- 1948-7185
- Page Range / eLocation ID:
- 6071 to 6077
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Computational simulations of nuclear magnetic resonance (NMR) experiments are essential for extracting information about molecular structure and dynamics, but are often intractable on classical computers for large molecules such as proteins and protocols such as zero-field NMR. We demonstrate the first quantum simulation of a NMR spectrum, computing the zero-field spectrum of the methyl group of acetonitrile on a trapped-ion quantum computer. We reduce the sampling cost of the quantum simulation by an order of magnitude using compressed sensing techniques. Our work opens a new practical application for quantum computation, and we show how the inherent decoherence of NMR systems may enable the simulation of classically hard molecules on near-term quantum hardware.more » « less
-
The role of chirality in determining the spin dynamics of photoinduced electron transfer in donor-acceptor molecules remains an open question. Although chirality-induced spin selectivity (CISS) has been demonstrated in molecules bound to substrates, experimental information about whether this process influences spin dynamics in the molecules themselves is lacking. Here we used time-resolved electron paramagnetic resonance spectroscopy to show that CISS strongly influences the spin dynamics of isolated covalent donor–chiral bridge–acceptor (D-Bχ-A) molecules in which selective photoexcitation of D is followed by two rapid, sequential electron-transfer events to yield D•+-Bχ-A•–. Exploiting this phenomenon affords the possibility of using chiral molecular building blocks to control electron spin states in quantum information applications.more » « less
-
Electron transfer is at the heart of many fundamental physical, chemical, and biochemical processes essential for life. The exact simulation of these reactions is often hindered by the large number of degrees of freedom and by the essential role of quantum effects. Here, we experimentally simulate a paradigmatic model of molecular electron transfer using a multispecies trapped-ion crystal, where the donor-acceptor gap, the electronic and vibronic couplings, and the bath relaxation dynamics can all be controlled independently. By manipulating both the ground-state and optical qubits, we observe the real-time dynamics of the spin excitation, measuring the transfer rate in several regimes of adiabaticity and relaxation dynamics. Our results provide a testing ground for increasingly rich models of molecular excitation transfer processes that are relevant for molecular electronics and light-harvesting systems.more » « less
-
Ultracold polyatomic molecules are promising candidates for experiments in quantum science and precision searches for physics beyond the Standard Model. A key requirement is the ability to achieve full quantum control over the internal structure of the molecules. In this work, we established coherent control of individual quantum states in calcium monohydroxide (CaOH) and demonstrated a method for searching for the electron electric dipole moment (eEDM). Optically trapped, ultracold CaOH molecules were prepared in a single quantum state, polarized in an electric field, and coherently transferred into an eEDM-sensitive state where an electron spin precession measurement was performed. To extend the coherence time, we used eEDM-sensitive states with tunable, near-zero magnetic field sensitivity. Our results establish a path for eEDM searches with trapped polyatomic molecules.more » « less
An official website of the United States government

