Hamiltonian simulation of quantum beats in radical pairs undergoing thermal relaxation on near-term quantum computers

Tolunay, Meltem; Liepuoniute, Ieva; Vyushkova, Mariya; Jones, Barbara

doi:10.1039/d3cp00276d

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp00276d

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Hamiltonian simulation of quantum beats in radical pairs undergoing thermal relaxation on near-term quantum computers

Meltem Tolunay

Ieva Liepuoniute

Mariya Vyushkova

et al.

Abstract: Spin dynamics in radical pairs showing quantum beats and with nontrivial nuclear interactions are simulated on a quantum computer. Leveraging the inherent qubit noise provides a remarkable match to paramagnetic relaxation in real lab experiments.

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Cited by 6 publications

References 65 publications

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Physiological Search for Quantum Biological Sensing Effects Based on the Wigner–Yanase Connection between Coherence and Uncertainty

Kominis

2023

Adv Quantum Tech

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A fundamental concept of quantum physics, the Wigner–Yanase information, is used here as a measure of quantum coherence in spin‐dependent radical‐pair reactions pertaining to biological magnetic sensing. This measure is connected to the uncertainty of the reaction yields and, further, to the statistics of a cellular receptor‐ligand system used to biochemically convey magnetic‐field changes. Measurable physiological quantities, such as the number of receptors and fluctuations in ligand concentration, are shown to reflect the introduced Wigner–Yanase measure of singlet‐triplet coherence. A quantum‐biological uncertainty relation connecting the product of a biological resource and a biological figure of merit with the Wigner–Yanase coherence is arrived at. This approach can serve as a general search for quantum‐coherent effects within cellular environments.

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Physiological Search for Quantum Biological Sensing Effects Based on the Wigner–Yanase Connection between Coherence and Uncertainty

Kominis

2023

Adv Quantum Tech

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Simulating spin biology using a digital quantum computer: Prospects on a near-term quantum hardware emulator

Alvarez,

Chowdhury,

Smith

et al. 2024

APL Quantum

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Understanding the intricate quantum spin dynamics of radical pair reactions is crucial for unraveling the underlying nature of chemical processes across diverse scientific domains. In this work, we leverage Trotterization to map coherent radical pair spin dynamics onto a digital gate-based quantum simulation. Our results demonstrated an agreement between the idealized noiseless quantum circuit simulations and established master equation approaches for homogeneous radical pair recombination, identifying ∼15 Trotter steps to be sufficient for faithfully reproducing the coupled spin dynamics of a prototypical system. By utilizing this computational technique to study the dynamics of spin systems of biological relevance, our findings underscore the potential of digital quantum simulation (DQS) of complex radical pair reactions and builds the groundwork toward more utilitarian investigations into their intricate reaction dynamics. We further investigate the effect of realistic error models on our DQS approach and provide an upper limit for the number of Trotter steps that can currently be applied in the absence of error mitigation techniques before losing simulation accuracy to deleterious noise effects.

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From stochastic Hamiltonian to quantum simulation: exploring memory effects in exciton dynamics

Gallina,

Bruschi,

Fresch

2024

New J. Phys.

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The unraveling of open quantum system dynamics in terms of stochastic quantum trajectories offers a picture of open system dynamics that consistently considers memory effects stemming from the finite correlation time of environment fluctuations. These fluctuations significantly influence the coherence and energy transport properties of excitonic systems. When their correlation time is comparable to the timescale of the Hamiltonian evolution, it leads to the departure of open system dynamics from the Markovian limit. In this work, we leverage the unraveling of exciton dynamics through stochastic Hamiltonian propagators to design quantum circuits that simulate exciton transport, capturing finite memory effects. In addition to enabling the synthesis of parametrizable quantum circuits, stochastic unitary propagators provide a transparent framework for investigating non-Markovian effects on exciton transport. Our analysis reveals a nuanced relationship between environment correlation time and transport efficiency, identifying a regime of `"memory-assisted" quantum transport where time-correlated fluctuations allow the system to reach higher efficiency. However, this property is not universal and can only be realized in conjunction with specific features of the system Hamiltonian.

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Hamiltonian simulation of quantum beats in radical pairs undergoing thermal relaxation on near-term quantum computers

Abstract: Spin dynamics in radical pairs showing quantum beats and with nontrivial nuclear interactions are simulated on a quantum computer. Leveraging the inherent qubit noise provides a remarkable match to paramagnetic relaxation in real lab experiments.

Cited by 6 publications

References 65 publications

Physiological Search for Quantum Biological Sensing Effects Based on the Wigner–Yanase Connection between Coherence and Uncertainty

Physiological Search for Quantum Biological Sensing Effects Based on the Wigner–Yanase Connection between Coherence and Uncertainty

Simulating spin biology using a digital quantum computer: Prospects on a near-term quantum hardware emulator

From stochastic Hamiltonian to quantum simulation: exploring memory effects in exciton dynamics

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