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arXiv:1707.04120 · Scientific Reports

Simulating polaron biophysics with Rydberg atoms

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

Published Jun 12, 2018• 19 citations
arXivHTMLPDF

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.

DOI
10.1038/s41598-018-27232-4

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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.
Mobile impurity atoms immersed in Bose–Einstein condensates provide a new platform for exploring Bose polarons. Recent experimental advances in the field of ultracold atoms make it possible to realize such systems with highly tunable microscopic parameters and to explore equilibrium and dynamical properties of polarons using a rich toolbox of atomic physics. In this paper we present a detailed theoretical analysis of Bose polarons in one-dimensional systems of ultracold atoms. By combining a non-perturbative renormalization group approach with numerically exact diffusion Monte Carlo calculations we obtain not only detailed numerical results over a broad range of parameters but also qualitative understanding of different regimes of the system. We find that an accurate description of Bose polarons requires the inclusion of two-phonon scattering terms which go beyond the commonly used Fröhlich model. Furthermore we show that when the Bose gas is in the strongly interacting regime, one needs to include interactions between the phonon modes. We use several theoretical approaches to calculate the polaron energy and its effective mass. The former can be measured using radio-frequency spectroscopy and the latter can be studied experimentally using impurity oscillations in a harmonic trapping potential. We compare our theoretical results for the effective mass to the experiments by Catani et al (2012 Phys. Rev. A 85 023623). In the weak-to-intermediate coupling regimes we obtain excellent quantitative agreement between theory and experiment, without any free fitting parameter. We supplement our analysis by full dynamical simulations of polaron oscillations in a shallow trapping potential. We also use our renormalization group approach to analyze the full phase diagram and identify regions that support repulsive and attractive polarons, as well as multi-particle bound states.
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.