Quantum Simulation of Charge and Exciton Transfer in Multi-mode Models using Engineered Reservoirs
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arXiv
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| Autores principales: | , , , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866911154661490688 |
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| author | So, Visal Suganthi, Midhuna Duraisamy Zhu, Mingjian Menon, Abhishek Tomaras, George Zhuravel, Roman Pu, Han Wolynes, Peter G. Onuchic, José N. Pagano, Guido |
| author_facet | So, Visal Suganthi, Midhuna Duraisamy Zhu, Mingjian Menon, Abhishek Tomaras, George Zhuravel, Roman Pu, Han Wolynes, Peter G. Onuchic, José N. Pagano, Guido |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_22729 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Quantum Simulation of Charge and Exciton Transfer in Multi-mode Models using Engineered Reservoirs So, Visal Suganthi, Midhuna Duraisamy Zhu, Mingjian Menon, Abhishek Tomaras, George Zhuravel, Roman Pu, Han Wolynes, Peter G. Onuchic, José N. Pagano, Guido Quantum Physics Quantum Gases Atomic Physics Chemical Physics 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. |
| title | Quantum Simulation of Charge and Exciton Transfer in Multi-mode Models using Engineered Reservoirs |
| topic | Quantum Physics Quantum Gases Atomic Physics Chemical Physics |
| url | https://arxiv.org/abs/2505.22729 |