Mingjian Zhu

We propose and demonstrate an experimental scheme to engineer thermal baths with independently tunable temperatures and dissipation rates for the motional modes of a trapped-ion system. This approach enables robust thermal-state preparation and quantum simulations of open-system dynamics in bosonic and spin-boson models at well-controlled finite temperatures. We benchmark our protocol by experimentally realizing out-of-equilibrium dynamics of a charge-transfer model at different temperatures. We observe that, when the process occurs at a higher temperature, the transfer rate spectrum broadens, with reduced rates at small donor-acceptor energy gaps and enhanced rates at large gaps. We then employ our scheme to study local-temperature effects in a two-mode vibrationally assisted exciton transfer system, where we observe thermally activated interference pathways for excitation transfer.

Quantum simulation offers a route to study open-system molecular dynamics in non-perturbative regimes by programming the interactions among electronic, vibrational, and environmental degrees of freedom on similar energy scales. Trapped-ion systems possess this capability, with their native spins, phonons, and tunable dissipation integrated within a single platform. Here, we demonstrate an open-system quantum simulation of charge and exciton transfer in a multi-mode linear vibronic coupling model. Employing tailored spin-phonon interactions alongside reservoir engineering techniques, we emulate a system with two dissipative vibrational modes coupled to donor and acceptor electronic sites and follow its non-equilibrium dynamics. We continuously tune the system from the charge transfer (CT) regime to the vibrationally assisted exciton transfer (VAET) regime by controlling the vibronic coupling strengths. We find that degenerate modes enhance CT and VAET rates at large energy gaps, while non-degenerate modes activate slow-mode pathways that reduce the energy-gap dependence, thus enlarging the window for efficient transfer. These results show that the presence of one additional vibration introduces interfering vibrationally assisted pathways and reshapes non-perturbative quantum excitation transfer. Our work establishes a scalable and hardware-efficient route to simulating chemically relevant, many-mode vibronic processes with engineered environments, guiding the design of next-generation organic photovoltaics and molecular electronics.

We propose a series of dissipation-assisted entanglement generation protocols that can be implemented on a trapped-ion quantum simulator. Our approach builds on the single-site molecular electron transfer (ET) model recently realized in the experiment [So et al. Sci. Adv. 10, eads8011 (2024)]. This model leverages spin-dependent boson displacement and dissipation controlled by sympathetic cooling. We show that, when coupled to external degrees of freedom, the ET model can be used as a dissipative quantum control mechanism, enabling the precise tailoring of both spin and phonon steady state of a target sub-system. We derive simplified analytical formalisms that offer intuitive insights into the dissipative dynamics. Using realistic interactions in a trapped-ion system, we develop a protocol for generating $N$-qubit and $N$-boson $W$ states. Additionally, we generalize this protocol to realize generic $N$-qubit Dicke states with tunable excitation numbers. Finally, we outline a realistic experimental setup to implement our schemes in the presence of noise sources.

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.