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Simulating polaron biophysics with Rydberg atoms

Płodzień, Marcin, Sowiński, Tomasz, S. J. J. M. F. Kokkelmans

Published Jul 13, 2017• 15 citations
OpenAlex

Abstract

Transport of excitations along proteins can be formulated in a quantum physics context, based on the periodicity and vibrational modes of the structures. Numerically exact solutions of the corresponding equations are very challenging to obtain on classical computers. Approximate solutions based on the Davydov ansatz have demonstrated the possibility of stabilized solitonic excitations along the protein, however, experimentally these solutions have never been directly observed. Here we propose an alternative study of biophysical transport phenomena based on a quantum simulator composed of a chain of ultracold dressed Rydberg atoms, which allows for a direct observation of the Davydov phenomena. We show that there is an experimentally accessible range of parameters where the system directly mimics the Davydov equations and their solutions. Moreover, we show that such a quantum simulator has access to the regime in between the small and large polaron regimes, which cannot be described perturbatively.

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Simulating polaron biophysics with Rydberg atoms

Marcin Płodzień, Tomasz Sowiński, S. J. J. M. F. Kokkelmans

Transport of excitations along proteins can be formulated in a quantum physics context, based on the periodicity and vibrational modes of the structures. Numerically exact solutions of the corresponding equations are very challenging to obtain on classical computers. Approximate solutions based on the Davydov ansatz have demonstrated the possibility of stabilized solitonic excitations along the protein, however, experimentally these solutions have never been directly observed. Here we propose an alternative study of biophysical transport phenomena based on a quantum simulator composed of a chain of ultracold dressed Rydberg atoms, which allows for a direct observation of the Davydov phenomena. We show that there is an experimentally accessible range of parameters where the system directly mimics the Davydov equations and their solutions. Moreover, we show that such a quantum simulator has access to the regime in between the small and large polaron regimes, which cannot be described perturbatively.

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Polarons, which arise from the self-trapping interaction between electrons and lattice distortions in a solid, have been known and extensively investigated for nearly a century. Nevertheless, the study of polarons continues to be an active and evolving field, with ongoing advancements in both fundamental understanding and practical applications. Here, we present a microscopic model that exhibits a diverse range of dynamic behavior, arising from the intricate interplay between two excitation-phonon coupling terms. The derivation of the model is based on an experimentally feasible Rydberg-dressed system with dipole-dipole interactions, making it a promising candidate for realization in a Rydberg atoms quantum simulator for excitation dynamics interacting with optical phonons. Remarkably, our analysis reveals a growing asymmetry in Bloch oscillations, leading to a macroscopic transport of nonspreading excitations under a constant force. Finally, we demonstrate the robustness of our findings against on-site random potential.

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Strong coupling between mobile charge carriers or excitons and lattice vibrations gives rise to polarons: quasiparticles formed by charge carriers dressed by a cloud of phonon excitations. Polaron formation determines transport properties of systems ranging from transition-metal oxides and organic semiconductors to light-harvesting complexes. In excitonic systems that admit a hard-core boson description, mapping the excitations to pseudospins provides a natural framework for studying polaron physics, including the nonperturbative regime in which hopping amplitudes, phonon energies, and coupling strengths are comparable. Here, we propose a trapped-ion blueprint for realizing spin-phonon Hamiltonians with programmable spatial coupling between excitation density and phonon displacements, encompassing local Holstein and long-range Fröhlich-type interactions. To access strongly dressed quasiparticles whose bare spectral weight is suppressed, we introduce displaced Green's functions implemented through spin-dependent phonon displacements. Their spectral response reveals the polaron band spectrum, including binding energies and phonon-excitation sidebands, while spatially resolved measurements probe the structure of the phonon dressing cloud, providing a route to polaron tomography. We further complement this spectroscopy with direct and ancilla-assisted measurements of spin-phonon correlations that track the coupled dynamics of the excitation and its environment. These approaches connect the emergent quasiparticle spectrum to the microscopic buildup of its dressing cloud, enabling controlled studies of how the spatial range of coupling shapes polaron formation and mobility.

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Transport of excitations along proteins can be formulated in a quantum physics context, based on the periodicity and vibrational modes of the structures. Numerically exact solutions of the corresponding equations are very challenging to obtain on classical computers. Approximate solutions based on the Davydov ansatz have demonstrated the possibility of stabilized solitonic excitations along the protein, however, experimentally these solutions have never been directly observed. Here we propose an alternative study of biophysical transport phenomena based on a quantum simulator composed of a chain of ultracold dressed Rydberg atoms, which allows for a direct observation of the Davydov phenomena. We show that there is an experimentally accessible range of parameters where the system directly mimics the Davydov equations and their solutions. Moreover, we show that such a quantum simulator has access to the regime in between the small and large polaron regimes, which cannot be described perturbatively.
Transport of excitations along proteins can be formulated in a quantum physics context, based on the periodicity and vibrational modes of the structures. Numerically exact solutions of the corresponding equations are very challenging to obtain on classical computers. Approximate solutions based on the Davydov ansatz have demonstrated the possibility of stabilized solitonic excitations along the protein, however, experimentally these solutions have never been directly observed. Here we propose an alternative study of biophysical transport phenomena based on a quantum simulator composed of a chain of ultracold dressed Rydberg atoms, which allows for a direct observation of the Davydov phenomena. We show that there is an experimentally accessible range of parameters where the system directly mimics the Davydov equations and their solutions. Moreover, we show that such a quantum simulator has access to the regime in between the small and large polaron regimes, which cannot be described perturbatively.
Recent years have seen growing interest in sharp polaronic transitions in systems with strongly momentum-dependent interactions of an itinerant excitation (electron, hole, exciton) with dispersionless phonons. This work presents a scheme for investigating such phenomena in a controllable fashion within the framework of an analog quantum simulator based on an array of neutral atoms in optical tweezers. The envisioned analog simulator, in which the atoms interact through Rydberg-dressed resonant dipole-dipole interaction, allows one to study the rich interplay of Peierls- and breathing-mode-type excitation-phonon interactions. Based on a numerically-exact treatment of one special case of this system -- namely, the case with equal Peierls- and breathing-mode coupling strengths -- a sharp small-polaron transition was shown to take place for a critical value of the effective excitation-phonon coupling strength. This transition signifies the change from a completely bare (undressed by phonons) excitation below the transition point and a strongly phonon-dressed one (small polaron) above it. This work also highlights the comparative advantages of highly-controllable Rydberg-atom-based systems to other physical platforms for simulating polaronic phenomenology, which could be exploited to study the nonequilibrium dynamics of the small-polaron formation.
Polarons, which arise from the self-trapping interaction between electrons and lattice distortions in a solid, have been known and extensively investigated for nearly a century. Nevertheless, the study of polarons continues to be an active and evolving field, with ongoing advancements in both fundamental understanding and practical applications. Here, we present a microscopic model that exhibits a diverse range of dynamic behavior, arising from the intricate interplay between two excitation-phonon coupling terms. The derivation of the model is based on an experimentally feasible Rydberg-dressed system with dipole-dipole interactions, making it a promising candidate for realization in a Rydberg atoms quantum simulator for excitation dynamics interacting with optical phonons. Remarkably, our analysis reveals a growing asymmetry in Bloch oscillations, leading to a macroscopic transport of nonspreading excitations under a constant force. Finally, we demonstrate the robustness of our findings against on-site random potential.
Analog quantum simulations with Rydberg atoms in optical tweezers have emerged as a powerful tool for exploring strongly correlated many-body physics. However, the range of accessible phenomena remains limited by constraints in controlling many-body interactions in these systems. Here, we propose an alternative approach to realizing tunable interactions using Rydberg dressing on Aquila, a 256-atom quantum simulator based on optical tweezer arrays. By weakly admixing a Rydberg state via off-resonant laser coupling, we generate long-range interactions with temporal control. In combination with programmable atom geometries and site-selective control, this dressing protocol enables simulation of quantum spin models with state preparation and measurement in arbitrary basis. These capabilities enable access to exciting regimes of quantum simulation, including Quantum spin liquids, XYZ lattice models and broader application of quantum reservoir computing. Our approach establish Rydberg dressing as a practical and scalable tool for expanding the class of many-body systems accessible to analog quantum simulation and provides a critical stepping stone toward quantum machine learning and hybrid analog-digital quantum simulation with neutral atoms.
The Motzkin spin chain is a well-known mathematical model with connections to symmetry-protected topological phases, such as the Haldane phase, as well as to concepts in the AdS/CFT correspondence. They exhibit highly entangled ground states that violate the area law and are exceptionally difficult to simulate with conventional numerical methods. Numerical simulations of the Motzkin ground state become further challenging at large system sizes due to their high-dimensional spin structure, rendering it a natural test bed for quantum simulation with ultracold systems. Here, we propose a Rydberg-atom based quantum simulation scheme that effectively realizes Motzkin spins using an experimentally accessible set of parameters. We show that the resulting effective Motzkin ground state reproduces the characteristic entanglement scaling and the block-structure properties of the reduced density matrix associated with the ideal Motzkin state. Our results establish a pathway toward a concrete experimental realization of Motzkin spins beyond purely mathematical constructions, opening avenues for exploring other similar exotic non-area-law entangled phases in programmable Rydberg simulators.
Strong coupling between mobile charge carriers or excitons and lattice vibrations gives rise to polarons: quasiparticles formed by charge carriers dressed by a cloud of phonon excitations. Polaron formation determines transport properties of systems ranging from transition-metal oxides and organic semiconductors to light-harvesting complexes. In excitonic systems that admit a hard-core boson description, mapping the excitations to pseudospins provides a natural framework for studying polaron physics, including the nonperturbative regime in which hopping amplitudes, phonon energies, and coupling strengths are comparable. Here, we propose a trapped-ion blueprint for realizing spin-phonon Hamiltonians with programmable spatial coupling between excitation density and phonon displacements, encompassing local Holstein and long-range Fröhlich-type interactions. To access strongly dressed quasiparticles whose bare spectral weight is suppressed, we introduce displaced Green's functions implemented through spin-dependent phonon displacements. Their spectral response reveals the polaron band spectrum, including binding energies and phonon-excitation sidebands, while spatially resolved measurements probe the structure of the phonon dressing cloud, providing a route to polaron tomography. We further complement this spectroscopy with direct and ancilla-assisted measurements of spin-phonon correlations that track the coupled dynamics of the excitation and its environment. These approaches connect the emergent quasiparticle spectrum to the microscopic buildup of its dressing cloud, enabling controlled studies of how the spatial range of coupling shapes polaron formation and mobility.