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Simulating Quantum Chemical Dynamics with Improved Superconducting Qubits

A. Megrant

Published Jan 1, 2016• 1 citation
OpenAlex

Abstract

A quantum computer will potentially solve far-reaching problems which are currently intractable on any classical computer. Many technological obstacles have prevented the realization of a quantum computer, the main obstacle being decoherence, which is the loss of quantum information. Decoherence arises from the undesired interaction between qubits and their environment. Isolated qubits have better coherence but are more difficult to control. Superconducting qubits are a promising platform since their macroscopic size allows for easy control and coupling to other qubits. While the coherence of superconducting qubits has substantially improved over the past two decades, further improvements in coherence are required.We have repeatedly and reliably increased the coherence times of superconducting qubits. Currently decoherence in these devices is dominated by coupling to material defects. These defects are present in the dielectrics used to fabricate these devices or introduced during fabrication. Using simpler resonators as a testbed, we individually isolate, characterize, and then improve each step of the more complicated fabrication of superconducting qubits. We increased the quality factor of resonators by a factor of four by first identifying the surfaces and interfaces as a major source of loss and then by optimizing the substrate preparation. Furthermore, we measure and subsequently mitigate additional defect loss, which is dependent on the position of ground plane holes used to limit the loss from magnetic vortices. Implementing these improvements led to an increase of our qubit coherence times by more than an order of magnitude.The progress made in coherence while maintaining a high degree of connectivity and controllability has been directly used in more complex circuits. One such device is a fully connected three qubit ring with both tunable qubit frequencies and adjustable qubit-qubit couplings. The considerable level of control allows us to generate the quantum dynamics resulting from a collision between Na and He atoms by encoding the problem into a time-dependent multi-qubit interaction. We compute a scattering cross section by measuring the probability of exciting the Na atom over a wide range of collision parameters. The scattering cross-section shows that there is a velocity where the excitation probability is maximized, in agreement with scattering experiments.

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A quantum computer will potentially solve far-reaching problems which are currently intractable on any classical computer. Many technological obstacles have prevented the realization of a quantum computer, the main obstacle being decoherence, which is the loss of quantum information. Decoherence arises from the undesired interaction between qubits and their environment. Isolated qubits have better coherence but are more difficult to control. Superconducting qubits are a promising platform since their macroscopic size allows for easy control and coupling to other qubits. While the coherence of superconducting qubits has substantially improved over the past two decades, further improvements in coherence are required.We have repeatedly and reliably increased the coherence times of superconducting qubits. Currently decoherence in these devices is dominated by coupling to material defects. These defects are present in the dielectrics used to fabricate these devices or introduced during fabrication. Using simpler resonators as a testbed, we individually isolate, characterize, and then improve each step of the more complicated fabrication of superconducting qubits. We increased the quality factor of resonators by a factor of four by first identifying the surfaces and interfaces as a major source of loss and then by optimizing the substrate preparation. Furthermore, we measure and subsequently mitigate additional defect loss, which is dependent on the position of ground plane holes used to limit the loss from magnetic vortices. Implementing these improvements led to an increase of our qubit coherence times by more than an order of magnitude.The progress made in coherence while maintaining a high degree of connectivity and controllability has been directly used in more complex circuits. One such device is a fully connected three qubit ring with both tunable qubit frequencies and adjustable qubit-qubit couplings. The considerable level of control allows us to generate the quantum dynamics resulting from a collision between Na and He atoms by encoding the problem into a time-dependent multi-qubit interaction. We compute a scattering cross section by measuring the probability of exciting the Na atom over a wide range of collision parameters. The scattering cross-section shows that there is a velocity where the excitation probability is maximized, in agreement with scattering experiments.
While significant strides have been made to increase the coherence time of superconducting qubits, further advancements are essential for realizing scalable quantum computing. Decoherence is often a result of loss and noise stemming from two-level systems and excess quasiparticles, arising due to material defects, fabrication processes, and ambient exposure, particularly at surfaces and interfaces. Our recent efforts to mitigate these decoherence mechanisms have employed a variety of strategies, including low-loss surface encapsulation materials, advanced substrate preparation techniques, modifications to metal film growth, and the development of novel fabrication processes. The structural and chemical properties of materials, surfaces, and interfaces are studied using scanning probe microscopy, electron microscopy, photoelectron spectroscopy, mass spectrometry, and X-ray diffraction, which is correlated to device performance metrics, including superconducting resonator internal quality factor and qubit T1 time. This information is used to identify and understand material sources of loss and their origins in the device fabrication process. Through multi-institution efforts within SQMS we have identified the loss mechanism of interstitial hydrogen in niobium-based devices and shown how standard fabrication processes introduce these hydrides, developing strategies to mitigate their formation.1 Furthermore, we have characterized the metal-substrate interface, including the loss of niobium-silicides formed at that interface, and developed silicon surface treatments that reduce atomic scale roughness and oxygen content at the metal-substrate and Josephson junction interfaces.2-4 By developing the connection between materials properties and the overall performance of superconducting quantum circuitry, we can develop fabrication strategies to mitigate material losses, thus supporting the ongoing efforts to enhance coherence time in superconducting quantum devices. 1. Torres-Castanedo, C. G.*, Goronzy, D. P.*, et al., Adv. Funct. Mater., 2401365 (2024) 2. Lu, X., et al., Phys. Rev. Materials 6, 064402 (2022) 3. Berti, G., Appl. Phys. Lett. 122, 192605 (2023) 4. Kopas, C. J., Goronzy, D. P., et al., arXiv:2408.02863 (2024)
With massive improvements in device coherence times and gate fidelity over the past two decades, superconducting quantum devices have emerged as a leading technology platform for next generation quantum computing. While many of these improvements have been driven through optimized device designs and geometries, the presence of defects, impurities, interfaces, and surfaces in the constituent materials continue to limit performance and present a critical barrier in achieving scalable quantum systems with long coherence times. As part of the Superconducting Quantum Materials and Systems (SQMS) center, we have applied state-of-the-art materials characterization techniques, such as scanning/transmission electron microscopy, secondary ion mass spectrometry, and atom probe tomography, to identify structural defects and chemical inhomogeneities in superconducting qubits. In this review, we discuss the findings of these efforts as they relate to the inherent surfaces, interfaces, impurities, and defects in superconducting qubits. Through this comprehensive investigation, we provide insight into possible sources of dissipation in these systems. Further, we supplement these findings with potential strategies for mitigating these undesired features in an effort to systematically and intelligently improve the coherence times of superconducting qubits.
Abstract Superconducting qubits are multilevel micro-fabricated artificial atoms based on superconducting materials. They are mainly operated in the low microwave frequency range (2–8 GHz) and require to be cooled below 20 mK to maintain quantum coherence. They enable precise engineering of transition frequencies and coupling strengths, facilitating advancements in quantum information processing and light-matter interactions. The field has evolved from early devices, characterized by short coherence times, to modern architectures with improved noise resilience, scalability, and fidelity. Better performances have been achieved through innovations in materials, fabrication, control electronics, and circuit design, enabling qubits with millisecond coherence times and gate fidelities exceeding 99.9%. However, challenges remain in mitigating two-level system defects, scaling devices, and addressing the cryogenic and infrastructure needs of larger quantum processing units. Current research focuses on modular and scalable architectures, error correction, and application. The field’s progress highlights the potential for superconducting qubits to drive advancements in quantum computation.
Superconducting qubits are a leading platform for quantum computation, yet decoherence and scalability challenges continue to limit progress toward fault-tolerant systems. This review synthesizes research on architectures, noise sources, and error correction to clarify performance trade-offs and guide development. The transition from Transmon to Fluxonium has dramatically improved qubit performance, achieving millisecond-scale coherence times. However, this success reveals a fundamental limit of coherence now being primarily restricted by the physical properties of the materials, specifically dielectric losses occurring at the Josephson junction leads and within the surrounding materials. As overcoming these material limits becomes increasingly difficult, system-level engineering determines whether high-coherence qubits can scale.Scaling quantum systems is difficult because current cooling and control systems create too much heat and this forces a shift to integrated digital superconducting circuits and cryogenic light-based links. While these hardware challenges restrict scaling, experiments in error correction show that logical qubits can already outperform physical ones. For example, a distance-7 surface code improved logical qubit lifetime by 2.4×. Achieving practical fault tolerance, however, requires moving beyond simple error models. Future systems must combine techniques like Dynamical Decoupling and Machine Learning-based Optimal Control with dynamic classical control capable of handling complex, correlated faults such as Multi-Bit Burst Errors. Progress in materials, cryogenic system integration for control, and adaptive error management must advance together to realize scalable, high-fidelity quantum hardware.
The aim of this thesis was to realize superconducting quantum bits by using novel fabrication techniques and materials in order to enhance the coherence time of the former devices. For the system to be studied we chose the ux-biased phase qubit, which consists of a Josephson junction integrated in a superconducting loop. This qubit realization has some advantages, which make it an ideal test-bed for different fabrication technologies and materials. Relatively large Josephson junctions can be used in the phase qubit realization, which are easy to be fabricated by using standard lithographic technology with the flexibility of employing various fabrication techniques and materials. The coherence of current-generation of superconducting qubits seems to be limited by intrinsic sources of noise and energy loss, related to materials' defects (two-level systems, TLSs) on the surfaces and interfaces of the superconducting lms, and in the bulk of the dielectric films used for the microelectronic realization of the circuits. For this reason, we aimed our research activities on the realization of low loss dielectrics (a-Si:H), on its integration with Josephson junction technologies, on the protection of the superconducting films' surfaces from unwanted contamination, and on the optimization of the circuit design and fabrication processes.
Superconducting qubits are among the most promising platforms for building a quantum computer. However, individual qubit coherence times are not far past the scalability threshold for quantum error correction, meaning that millions of physical devices would be required to construct a useful quantum computer. Consequently, further increases in coherence time are very desirable. In this Letter, we blueprint a simple circuit consisting of two transmon qubits and two additional lossy qubits or resonators, which is passively protected against all single-qubit quantum error channels through a combination of continuous driving and engineered dissipation. Photon losses are rapidly corrected through two-photon drive fields implemented with driven superconducting quantum interference device couplings, and dephasing from random potential fluctuations is heavily suppressed by the drive fields used to implement the multiqubit Hamiltonian. Comparing our theoretical model to published noise estimates from recent experiments on flux and transmon qubits, we find that logical state coherence could be improved by a factor of 40 or more compared to the individual qubit T_{1} and T_{2} using this technique. We thus demonstrate that there is substantial headroom for improving the coherence of modern superconducting qubits with a fairly modest increase in device complexity.