A Computational Framework for Simulations of Dissipative Non-Adiabatic Dynamics on Hybrid Oscillator-Qubit Quantum Devices

TL;DR

This paper presents a new computational framework for simulating non-adiabatic vibronic dynamics on hybrid oscillator-qubit quantum devices, incorporating environmental effects like dissipation, demonstrated through photosynthetic energy transfer models.

Contribution

It introduces a novel simulation approach leveraging hybrid quantum hardware with mid-circuit operations to model dissipative non-adiabatic dynamics.

Findings

Hybrid oscillator-qubit devices can simulate energy transfer with high fidelity.

Simulations incorporate environmental effects such as dissipation and dephasing.

Feasible on near-term quantum hardware with noise levels below molecular dissipation rates.

Abstract

We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-qubit quantum hardware with mid-circuit measurements and resets, enabling the incorporation of environmental effects such as dissipation and dephasing. To demonstrate its capabilities, we simulate energy transfer dynamics in a triad model of photosynthetic chromophores inspired by natural antenna systems. We specifically investigate the role of dissipation during the relaxation dynamics following photoexcitation, where electronic transitions are coupled to the evolution of quantum vibrational modes. Our results indicate that hybrid oscillator-qubit devices, operating with noise levels below the intrinsic dissipation rates of typical molecular antenna systems, can achieve the simulation fidelity required for practical computations on near-term and early fault-tolerant quantum computing platforms.