Simulating Electron Transfer on Noisy Quantum Computers

Fuente: arXiv
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Autores principales: Gajewski, Marvin, Somoza, Alejandro D., Schmiedinghoff, Gary, Stadler, Pascal, Marthaler, Michael, Horstmann, Birger
Formato: Preprint
Publicado: 2025
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author Gajewski, Marvin
Somoza, Alejandro D.
Schmiedinghoff, Gary
Stadler, Pascal
Marthaler, Michael
Horstmann, Birger
author_facet Gajewski, Marvin
Somoza, Alejandro D.
Schmiedinghoff, Gary
Stadler, Pascal
Marthaler, Michael
Horstmann, Birger
contents While simple spin-boson models have been realized on quantum hardware, simulating extended electronic networks with local vibrational environments remains a fundamental challenge in the presence of non-equilibrium, long-lived electronic-vibrational (vibronic) coherence. We present a framework for the digital-analog simulation of open quantum systems governed by Hamiltonians with linear-vibronic coupling (LVC) and structured vibrational environments. Our approach exploits the intrinsic dissipation of qubits in near-term quantum hardware as a resource to emulate vibrational relaxation, combined with a model-specific error mitigation scheme to filter out noise sources incompatible with the target open system. We validate our strategy by resolving the vibronic transfer spectra of a one-dimensional donor-acceptor chain on IBM superconducting processors, reproducing non-Markovian dynamics and scaling the chain length up to 10 electronic sites, an unprecedented scale for chemical dynamics on quantum computers. Our model of vibronic electron transfer offers a portable, application-oriented benchmark for simulating long-lived entangled states on NISQ computers.
format Preprint
id arxiv_https___arxiv_org_abs_2508_18141
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Simulating Electron Transfer on Noisy Quantum Computers
Gajewski, Marvin
Somoza, Alejandro D.
Schmiedinghoff, Gary
Stadler, Pascal
Marthaler, Michael
Horstmann, Birger
Quantum Physics
While simple spin-boson models have been realized on quantum hardware, simulating extended electronic networks with local vibrational environments remains a fundamental challenge in the presence of non-equilibrium, long-lived electronic-vibrational (vibronic) coherence. We present a framework for the digital-analog simulation of open quantum systems governed by Hamiltonians with linear-vibronic coupling (LVC) and structured vibrational environments. Our approach exploits the intrinsic dissipation of qubits in near-term quantum hardware as a resource to emulate vibrational relaxation, combined with a model-specific error mitigation scheme to filter out noise sources incompatible with the target open system. We validate our strategy by resolving the vibronic transfer spectra of a one-dimensional donor-acceptor chain on IBM superconducting processors, reproducing non-Markovian dynamics and scaling the chain length up to 10 electronic sites, an unprecedented scale for chemical dynamics on quantum computers. Our model of vibronic electron transfer offers a portable, application-oriented benchmark for simulating long-lived entangled states on NISQ computers.
title Simulating Electron Transfer on Noisy Quantum Computers
topic Quantum Physics
url https://arxiv.org/abs/2508.18141