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May 30, 2026Nature Communications1 citationsOpen Access

Simulating electron transfer on noisy quantum computers

MGMarvin GajewskiASAlejandro D. SomozaGSGary Schmiedinghoff

Key Points

  • The aim is to simulate electron transfer within extended electronic networks influenced by vibrational environments on quantum computers.
  • Developed a digital-analog simulation framework for open quantum systems governed by Hamiltonians with linear-vibronic coupling.
  • Employed intrinsic dissipation of qubits to emulate vibrational relaxation.
  • Utilized an error mitigation scheme to reduce noise in simulations.
  • Resolved vibronic transfer spectra for a one-dimensional donor-acceptor chain on IBM superconducting processors.
  • Reproduced non-Markovian dynamics effectively with chain lengths up to 10 electronic sites.
  • Demonstrated unprecedented scaling for simulating chemical dynamics on quantum computers.

Abstract

Abstract 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.

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Cite This Study

Gajewski et al. (2026) studied this question.

synapsesocial.com/papers/6a1a814b0307b785094331f4https://doi.org/10.1038/s41467-026-73700-1
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