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arXiv:2606.13930

Quantum Simulation of Spin-Dependent Electron Transfer in a Synthetic Chiral Lattice with a Trapped Ion

Yi Li, Chuyuan Chen, Xingyu Zhao, Zihan Xie, Min Jiang, Xinhua Peng, Han Pu, Lyuzhou Ye, Yao Wang, Guozhen Zhang, Yiheng Lin

quant-phSubmitted Jun 11, 2026• Announced Jun 15, 2026• 0 citations
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Abstract

Electron transfer through chiral structures can exhibit spin asymmetry, known as the chiral-induced spin selectivity effect, whose microscopic origin remains an open question. While path-interference within the chiral moiety has been proposed as a key mechanism, its experimental validation requires precise and versatile tunability of system parameters. Here we implement a programmable quantum simulation of spin-dependent electron transfer in a donor--chiral-bridge--acceptor model using a trapped ion. The bridge is encoded in internal states of the ion with tunable nearest- and next-nearest-neighbor couplings, while donor and acceptor states are coupled via a spectator bosonic motional mode. We observe spin-dependent interference within the bridge, and further reveal spin-dependence in donor-to-acceptor transfer dynamics, controlled by amplitude and phase of the coupling parameter. Our results identify interference among spin-dependent pathways as a microscopic origin of spin-dependent transfer, and open a route toward quantum simulations of complex chiral lattices with multi-level and bosonic degrees of freedom.

Comments
10 pages, 6 figures

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Electron transfer through chiral structures can exhibit spin asymmetry, known as the chiral-induced spin selectivity effect, whose microscopic origin remains an open question. While path-interference within the chiral moiety has been proposed as a key mechanism, its experimental validation requires precise and versatile tunability of system parameters. Here we implement a programmable quantum simulation of spin-dependent electron transfer in a donor--chiral-bridge--acceptor model using a trapped ion. The bridge is encoded in internal states of the ion with tunable nearest- and next-nearest-neighbor couplings, while donor and acceptor states are coupled via a spectator bosonic motional mode. We observe spin-dependent interference within the bridge, and further reveal spin-dependence in donor-to-acceptor transfer dynamics, controlled by amplitude and phase of the coupling parameter. Our results identify interference among spin-dependent pathways as a microscopic origin of spin-dependent transfer, and open a route toward quantum simulations of complex chiral lattices with multi-level and bosonic degrees of freedom.
The chirality-induced spin selectivity (CISS) effect has been invoked to explain recent reports of differences in the time-resolved EPR signals between chiral and achiral molecules. However, the microscopic origin of these differences and their connection to CISS remains contested, particularly since these systems lack a metal interface. Here we introduce an intramolecular spinterface-like mechanism that naturally arises within donor-chiral bridge-acceptor (D--χχχB--A) complexes and quantitatively reproduces experimentally reported observed spin polarization in time-resolved EPR studies. In our two-electron Lindblad model, the photoexcited charge-transfer electron traversing the chiral bridge exchanges with the residual donor electron, which acts as a localized magnetic moment analogous to an induced magnetic moment on an electrode surface. The resulting through-bridge charge current produces an effective solenoidal field at the donor--bridge interface, breaking spin degeneracy and directional symmetry, thus enabling spin-selective transport without invoking intrinsic spin-orbit coupling on the bridge. We show that the interplay between this current-induced field, donor thermalization (which breaks time-reversal symmetry), and bridge spin mixing yields tens-of-percent polarization over realistic experimental conditions and charge-transfer time scales, matching reported CISS signatures in triads and DNA hairpins. By explicitly resolving the dependence on solenoidal coupling strength, temperature, and spin-mixing rates, the model identifies the regime in which internal spinterfaces can generate robust CISS-like spin filtering. These findings demonstrate that CISS-like signals in isolated D--χχχB--A complexes are fully compatible with a spinterface mechanism, providing a unified conceptual framework for interpreting both device-based and molecule-internal CISS platforms.
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.
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.
A comprehensive description of molecular electron-transfer reactions is essential for our understanding of fundamental phenomena in bioenergetics and molecular electronics.However, experimental studies of molecular systems in condensed-phase environments face difficulties in independently controlling the parameters that govern the transfer mechanism with high precision.We show that, instead, trapped-ion experiments allow us to reproduce and continuously connect vastly different regimes of molecular charge transfer through precise tuning of, e.g., the phonon temperature, electron-phonon interaction, and electronic coupling.Such a setting does not only allow us to reproduce widely used transport models, such as Marcus theory.It also provides access to transfer regimes that are unattainable for molecular experiments, while controlling and measuring the relevant observables on the level of individual quanta.Our numerical simulations predict an unconventional quantum transfer regime, featuring a transition from quantum adiabatic to resonance-assisted transfer as a function of the donor-acceptor energy gap, which can be reached by increasing the electronic coupling at low temperatures.Trapped-ion-based quantum simulations thus promise to enhance our microscopic understanding of molecular electron-transfer processes and may help to reveal efficient design principles for synthetic devices.
Many important chemical and biochemical processes in the condensed phase are notoriously difficult to simulate numerically.Often, this difficulty arises from the complexity of simulating dynamics resulting from coupling to structured, mesoscopic baths, for which no separation of time scales exists and statistical treatments fail.A prime example of such a process is vibrationally assisted charge or energy transfer.A quantum simulator, capable of implementing a realistic model of the system of interest, could provide insight into these processes in regimes where numerical treatments fail.We take a first step towards modeling such transfer processes using an ion-trap quantum simulator.By implementing a minimal model, we observe vibrationally assisted energy transport between the electronic states of a donor and an acceptor ion augmented by coupling the donor ion to its vibration.We tune our simulator into several parameter regimes and, in particular, investigate the transfer dynamics in the nonperturbative regime often found in biochemical situations.
Quantum simulation with controllable many-body platforms offers a powerful route to exploring complex phases and dynamics that are difficult to access in natural materials. Among these, topological spin textures such as skyrmions are central to modern condensed-matter physics and play a key role in chiral quantum many-body systems. Their controlled realisation in large, programmable quantum platforms, however, remains an outstanding challenge. Here, we report deterministic generation and site-resolved reconstruction of topological spin textures in a two-dimensional crystal of more than 150 trapped ions. Using globally applied spin-dependent forces, we generate skyrmion configurations and reconstruct the full vector spin field with single-ion resolution, obtaining a winding number of 0.99$\pm0.02andameanlocalfidelityof0.870.02 and a mean local fidelity of 0.870.02andameanlocalfidelityof0.87\pm$0.04. In addition, we implement single-ion-resolved control to deterministically prepare domain-wall states, extending our approach to a broader class of non-uniform spin textures. These results establish trapped-ion crystals as a platform for engineering complex spin textures and open the door to exploring topology-dependent nonequilibrium dynamics in long-range interacting quantum systems.