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Simulating electron transfer on noisy quantum computers

delete2026-05-28
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OA
AI
M
Marvin Gajewski
A
Alejandro D. Somoza *
G
Gary Schmiedinghoff
P
Pascal Stadler
M
Michael Marthaler
B
Birger Horstmann *
DOI:10.1038/s41467-026-73700-1delete
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Abstract

Abstract

En 中文
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. The authors present a framework for simulating open quantum systems that turns hardware noise into a resource, and implement it on superconducting quantum computers. Going beyond spin-boson models, they capture vibronic electron-transfer dynamics central to many applications of chemistry.
Keywords:
vibronic coupling
open quantum systems
digital-analog simulation
non-Markovian dynamics
electron transfer
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Journal

Nature Communications cover
Nature Communications
IF:
15.7
Papers:
9.2W
Citations:
91.2W

Organization

G
German Aerospace Center
Scholars:
435
Papers: 150
Citations: 3
H
hq quantum simulations gmbh
Scholars:
4
Papers: 2
Citations: 0