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Neural Density Functional Theory of Liquid-Gas Phase Coexistence
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-24 DOI: 10.1103/physrevx.15.011013
Florian Sammüller, Matthias Schmidt, Robert Evans
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated interfacial phenomena in many-body systems. Local learning of the one-body direct correlation functional is based on Monte Carlo simulations of inhomogeneous systems with randomized thermodynamic conditions, randomized planar shapes of the external potential, and randomized box sizes. Focusing on the prototypical Lennard-Jones system, we test predictions of the resulting neural attractive density functional across a broad spectrum of physical behavior associated with liquid-gas phase coexistence in bulk and at interfaces. We analyze the bulk radial distribution function g(r) obtained from automatic differentiation and the Ornstein-Zernike route and determine (i) the Fisher-Widom line, i.e., the crossover of the asymptotic (large distance) decay of g(r) from monotonic to oscillatory, (ii) the (Widom) line of maximal correlation length, (iii) the line of maximal isothermal compressibility, and (iv) the spinodal by calculating the poles of the structure factor in the complex plane. The bulk binodal and the density profile of the free liquid-gas interface are obtained from density functional minimization and the corresponding surface tension from functional line integration. We also show that the neural functional describes accurately the phenomena of drying at a hard wall and of capillary evaporation for a liquid confined in a slit pore. Our neural framework yields results that improve significantly upon standard mean-field treatments of interparticle attraction. Comparison with independent simulation results demonstrates a consistent picture of phase separation even when restricting the training to supercritical states only. We argue that phase coexistence and its associated signatures can be discovered as emerging phenomena via functional mappings and educated extrapolation. Published by the American Physical Society 2025
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引用次数: 0
Time-Resolved X-Ray Spectroscopy from the Atomic Orbital Ground State Up
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-23 DOI: 10.1103/physrevx.15.011012
Daniel Jost, Eder G. Lomeli, Ta Tang, Joshua J. Kas, John J. Rehr, Wei-Sheng Lee, Hong-Chen Jiang, Brian Moritz, Thomas P. Devereaux
X-ray spectroscopy has been a key method to determine ground- and excited-state properties of quantum materials with atomic specificity. Now, new x-ray facilities are opening the door to the study of pump-probe x-ray spectroscopy—specifically, time-resolved x-ray absorption (trXAS) and time-resolved resonant inelastic x-ray scattering (trRIXS). In this paper, we will present simulations of each of these spectroscopies using a time-domain full atomic multiplet, charge-transfer Hamiltonian adapted to study the properties of a generalized cluster model including a central transition-metal ion caged by ligand atoms in a planar geometry. The numerically evaluated trXAS and trRIXS cross sections for representative electron configurations 3d9 and 3d8 demonstrate the insights that can be obtained from charge-transfer pumping and how this nonequilibrium process affects ground- and excited-state properties. The straightforward characterization of the excitations in these systems based on our analysis of the simulations can serve as a benchmark for future experiments, as access to these time-resolved spectroscopic techniques becomes more widely available. Published by the American Physical Society 2025
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引用次数: 0
Dissipative Protection of a GKP Qubit in a High-Impedance Superconducting Circuit Driven by a Microwave Frequency Comb 微波频率梳驱动高阻抗超导电路中GKP量子比特的耗散保护
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-22 DOI: 10.1103/physrevx.15.011011
L.-A. Sellem, A. Sarlette, Z. Leghtas, M. Mirrahimi, P. Rouchon, P. Campagne-Ibarcq
We propose a novel approach to generate, protect, and control Gottesman-Kitaev-Preskill (GKP) qubits. It employs a microwave frequency comb parametrically modulating a Josephson circuit to enforce a dissipative dynamics of a high-impedance circuit mode, autonomously stabilizing the finite-energy GKP code. The encoded GKP qubit is robustly protected against all dominant decoherence channels plaguing superconducting circuits but quasiparticle poisoning. In particular, noise from ancillary modes leveraged for dissipation engineering does not propagate at the logical level. In a state-of-the-art experimental setup, we estimate that the encoded qubit lifetime could extend 2 orders of magnitude beyond the break-even point, with substantial margin for improvement through progress in fabrication and control electronics. Qubit initialization, readout, and control via Clifford gates can be performed while maintaining the code stabilization, paving the way toward the assembly of GKP qubits in a fault-tolerant quantum computing architecture. Published by the American Physical Society 2025
我们提出了一种新的方法来生成、保护和控制Gottesman-Kitaev-Preskill (GKP)量子比特。它采用微波频率梳参数调制约瑟夫森电路来加强高阻抗电路模式的耗散动力学,自主稳定有限能量GKP代码。编码的GKP量子比特可以抵御超导电路中除准粒子中毒外的所有主要退相干通道。特别是,用于耗散工程的辅助模式的噪声不会在逻辑水平上传播。在最先进的实验装置中,我们估计编码量子比特的寿命可以延长2个数量级,超过收支平衡点,通过制造和控制电子技术的进步有很大的改进余地。在保持代码稳定性的同时,可以通过Clifford门进行量子位的初始化、读出和控制,为在容错量子计算架构中组装GKP量子位铺平了道路。2025年由美国物理学会出版
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引用次数: 0
Nonreciprocal Synchronization of Active Quantum Spins 主动量子自旋的非互反同步
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-21 DOI: 10.1103/physrevx.15.011010
Tobias Nadolny, Christoph Bruder, Matteo Brunelli
Active agents are capable of exerting nonreciprocal forces upon one another. For instance, one agent, say A, may attract another agent B while B repels A. These antagonistic nonreciprocal interactions have been extensively studied in classical systems, revealing a wealth of exciting phenomena such as novel phase transitions and traveling-wave states. Whether these phenomena can originate in quantum many-body systems is an open issue, and proposals for their realization are lacking. In this work, we present a model of two species of quantum spins that interact in an antagonistic nonreciprocal way of the attraction-repulsion type. We propose an implementation based on two atomic ensembles coupled via chiral waveguides featuring both braided and nonbraided geometries. The spins are active due to the presence of local gain, which allows them to synchronize. In the thermodynamic limit, we show that nonreciprocal interactions result in a nonreciprocal phase transition to time-crystalline traveling-wave states, associated with spontaneous breaking of parity-time symmetry. We establish how this symmetry emerges from the microscopic quantum model. For a finite number of spins, signatures of the time-crystal phase can still be identified by inspecting equal-time or two-time correlation functions. Remarkably, continuous monitoring of the output field of the waveguides induces a quantum traveling-wave state: a time-crystalline state of a finite-size quantum system, in which parity-time symmetry is spontaneously broken. Our work lays the foundation to explore nonreciprocal interactions in active quantum matter. Published by the American Physical Society 2025
主动因素能够对彼此施加非互作用力。例如,一个agent,比如说A,可能会吸引另一个agent B,而B排斥A。这些对抗性的非互反相互作用已经在经典系统中得到了广泛的研究,揭示了大量令人兴奋的现象,如新的相变和行波态。这些现象是否可以起源于量子多体系统是一个悬而未决的问题,并且缺乏实现它们的建议。在这项工作中,我们提出了两种量子自旋的模型,它们以吸引-排斥类型的拮抗非互反方式相互作用。我们提出了一种基于两个原子系综的实现,通过具有编织和非编织几何形状的手性波导耦合。由于存在局部增益,自旋是活跃的,这使得它们能够同步。在热力学极限下,我们证明了非互易相互作用导致非互易相变到时间晶体行波态,与奇偶时间对称性的自发破缺有关。我们建立了这种对称性是如何从微观量子模型中出现的。对于有限数量的自旋,仍然可以通过检查等时间或两时间相关函数来识别时间晶体相的特征。值得注意的是,连续监测波导的输出场可以诱导出量子行波状态:有限尺寸量子系统的时间晶体状态,在这种状态下,奇偶时间对称性被自发地打破。我们的工作为探索活跃量子物质中的非互反相互作用奠定了基础。2025年由美国物理学会出版
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引用次数: 0
Spectroscopy and Modeling of Yb171 Rydberg States for High-Fidelity Two-Qubit Gates 高保真双量子位门Yb171 Rydberg态的光谱和建模
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-17 DOI: 10.1103/physrevx.15.011009
Michael Peper, Yiyi Li, Daniel Y. Knapp, Mila Bileska, Shuo Ma, Genyue Liu, Pai Peng, Bichen Zhang, Sebastian P. Horvath, Alex P. Burgers, Jeff D. Thompson
Highly excited Rydberg states and their interactions play an important role in quantum computing and simulation. These properties can be predicted accurately for alkali atoms with simple Rydberg level structures. However, an extension of these methods to more complex atoms such as alkaline-earth atoms has not been demonstrated or experimentally validated. Here, we present multichannel quantum defect models for highly excited Yb174 and Yb171 Rydberg states with L2. The models are developed using a combination of existing literature data and new, high-precision laser and microwave spectroscopy in an atomic beam, and validated by detailed comparison with experimentally measured Stark shifts and magnetic moments. We then use these models to compute interaction potentials between two Yb atoms, and find excellent agreement with direct measurements in an optical tweezer array. From the computed interaction potential, we identify an anomalous Förster resonance that likely degraded the fidelity of previous entangling gates in Yb171 using F=3/2 Rydberg states. We then identify a more suitable F=1/2 state, and achieve a state-of-the-art controlled- gate fidelity of F=0.994(1), with the remaining error fully explained by known sources. This work establishes a solid foundation for the continued development of quantum computing, simulation, and entanglement-enhanced metrology with Yb neutral atom arrays. Published by the American Physical Society 2025
高激发态及其相互作用在量子计算和模拟中起着重要作用。这些性质可以准确地预测具有简单里德伯能级结构的碱原子。然而,将这些方法扩展到更复杂的原子,如碱土原子,尚未得到证明或实验验证。本文建立了L≤2的高激发Yb174和Yb171里德堡态的多通道量子缺陷模型。该模型是结合现有文献数据和新的高精度激光和微波光谱在原子束中开发的,并通过与实验测量的斯塔克位移和磁矩进行详细比较来验证。然后,我们使用这些模型来计算两个Yb原子之间的相互作用势,并发现与光学镊子阵列的直接测量结果非常吻合。从计算的相互作用势中,我们发现了一个异常Förster共振,该共振可能降低了Yb171中使用F=3/2里德堡态的先前纠缠门的保真度。然后,我们确定了一个更合适的F=1/2状态,并实现了最先进的控制门保真度F=0.994(1),剩余的误差完全由已知来源解释。这项工作为Yb中性原子阵列的量子计算、模拟和纠缠增强计量的持续发展奠定了坚实的基础。2025年由美国物理学会出版
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引用次数: 0
Probing Electronic Coherence between Core-Level Vacancies at Different Atomic Sites 探测不同原子位核能级空位间的电子相干性
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-16 DOI: 10.1103/physrevx.15.011008
Jun Wang, Taran Driver, Paris L. Franz, Přemysl Kolorenč, Emily Thierstein, River R. Robles, Erik Isele, Zhaoheng Guo, David Cesar, Oliver Alexander, Sandra Beauvarlet, Kurtis Borne, Xinxin Cheng, Louis F. DiMauro, Joseph Duris, James M. Glownia, Martin Graßl, Paul Hockett, Matthias Hoffman, Andrei Kamalov, Kirk A. Larsen, Siqi Li, Xiang Li, Ming-Fu Lin, Razib Obaid, Philipp Rosenberger, Peter Walter, Thomas J. A. Wolf, Jon P. Marangos, Matthias F. Kling, Philip H. Bucksbaum, Agostino Marinelli, James P. Cryan
The detailed understanding of electronic coherence in quantum systems requires measurements on the attosecond timescale. Attosecond x-ray pulses enable the study of electronic coherence in core-excited molecular systems. Here we report on the coherent motion of electrons in the 1,1-difluoroethylene ion following ionization of the K shell of the two nonequivalent carbon sites with a subfemtosecond x-ray pulse. Using the angular streaking technique to track the Auger-Meitner decay, we observe temporal modulations of the emission, indicating the electronic coherence of the core-excited ionic states, and extract a 6.5±0.8 fs average lifetime of the core-level vacancies. A quantum-mechanical model is employed to interpret the measurement, and we find the observed temporal modulations are independent of charge density oscillations. This work opens a new regime of coherent electronic motion, beyond charge migration, where electronic coherence manifests in the nonlocal quantum correlation between atomic sites while charge density oscillation is absent. Our results broaden the landscape of electronic coherence in molecular systems. Published by the American Physical Society 2025
要详细了解量子系统中的电子相干性,需要在阿秒时间尺度上进行测量。阿秒x射线脉冲使研究核激发分子系统中的电子相干性成为可能。本文报道了用亚飞秒x射线脉冲电离两个非等效碳位的K壳层后,1,1-二氟乙烯离子中电子的相干运动。利用角条纹技术跟踪奥格-迈特纳衰变,我们观察到了发射的时间调制,表明了核激发离子态的电子相干性,并提取了核能级空位的平均寿命为6.5±0.8 fs。采用量子力学模型来解释测量结果,我们发现观测到的时间调制与电荷密度振荡无关。这项工作开启了一种超越电荷迁移的相干电子运动的新体制,其中电子相干表现在原子位置之间的非局部量子相关中,而没有电荷密度振荡。我们的研究结果拓宽了分子系统中电子相干性的研究领域。2025年由美国物理学会出版
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引用次数: 0
Atomic-Scale Tracking of Topological Defect Motion and Incommensurate Charge Order Melting 拓扑缺陷运动的原子尺度跟踪与不相称电荷序熔化
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-15 DOI: 10.1103/physrevx.15.011007
Noah Schnitzer, Berit H. Goodge, Gregory Powers, Jaewook Kim, Sang-Wook Cheong, Ismail El Baggari, Lena F. Kourkoutis
Charge order pervades the phase diagrams of quantum materials where it competes with superconducting and magnetic phases, hosts electronic phase transitions and topological defects, and couples to the lattice generating intricate structural distortions. Incommensurate charge order is readily stabilized in manganese oxides, where it is associated with anomalous electronic and magnetic properties, but its nanoscale structural inhomogeneity complicates precise characterization and understanding of its relationship with competing phases. Leveraging atomic-resolution variable-temperature cryogenic scanning transmission electron microscopy, we characterize the thermal evolution of charge order as it transforms from its ground state in a model manganite system. We find that mobile networks of discommensurations and dislocations generate phase inhomogeneity and induce global incommensurability in an otherwise lattice-locked modulation. Driving the order to melt at high temperatures, the discommensuration density grows, and regions of order locally decouple from the lattice periodicity. Published by the American Physical Society 2025
电荷顺序遍及量子材料的相图,在那里它与超导相和磁相竞争,承载电子相变和拓扑缺陷,并与晶格耦合产生复杂的结构扭曲。在锰氧化物中,不相称的电荷顺序很容易稳定,这与异常的电子和磁性有关,但其纳米级结构的不均匀性使其与竞争相的关系的精确表征和理解复杂化。利用原子分辨率变温低温扫描透射电子显微镜,我们描述了在模型锰矿系统中从基态转变时电荷顺序的热演化。我们发现,移动网络的失调和位错产生相位不均匀性和诱导全局不通约性在一个否则晶格锁定调制。在高温下驱动有序的熔解,反常密度增大,有序区域局部与晶格周期性解耦。2025年由美国物理学会出版
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引用次数: 0
Superconducting Quantum Oscillations and Anomalous Negative Magnetoresistance in a Honeycomb Nanopatterned Oxide Interface Superconductor 蜂窝型纳米氧化物界面超导体中的超导量子振荡和异常负磁阻
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-14 DOI: 10.1103/physrevx.15.011006
Yishuai Wang, Siyuan Hong, Wenze Pan, Yi Zhou, Yanwu Xie
The extremely low superfluid density and unprecedented tunability of oxide interface superconductors provide an ideal platform for studying fluctuations in two-dimensional superconductors. In this work, we fabricate an LaAlO3/KTaO3 interface superconductor patterned with a nanohoneycomb array of insulating islands. Little-Parks-like magnetoresistance oscillations are observed, which are dictated by the superconducting flux quantum h/2e. Moreover, an anomalous negative magnetoresistance (ANMR) appears under a weak magnetic field, suggesting magnetic-field-enhanced superconductivity. By examining their dependences on temperature, measurement current, and electrical gating, we conclude that both phenomena are associated with superconducting order parameter: The h/2e oscillations provide direct evidence of Cooper-pair transport, and the ANMR is interpreted as a consequence of multiple connected narrow superconducting paths with strong fluctuations. Published by the American Physical Society 2025
氧化物界面超导体极低的超流密度和前所未有的可调性为研究二维超导体的波动提供了理想的平台。在这项工作中,我们制作了一个LaAlO3/KTaO3界面超导体,该超导体具有纳米蜂窝阵列的绝缘岛。观察到由超导通量量子h/2e决定的类利特尔帕克斯磁阻振荡。此外,在弱磁场下出现了反常的负磁阻(ANMR),表明磁场增强的超导性。通过检查它们对温度、测量电流和电门控的依赖性,我们得出结论,这两种现象都与超导序参量有关:h/2e振荡提供了库珀对输运的直接证据,并且ANMR被解释为具有强波动的多个连接的窄超导路径的结果。2025年由美国物理学会出版
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引用次数: 0
Efficient Prediction of Superlattice and Anomalous Miniband Topology from Quantum Geometry 从量子几何高效预测超晶格和反常迷你带拓扑结构
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-13 DOI: 10.1103/physrevx.15.011004
Valentin Crépel, Jennifer Cano
Two-dimensional materials subject to long-wavelength modulations have emerged as novel platforms to study topological and correlated quantum phases. In this article, we develop a versatile and computationally inexpensive method to predict the topological properties of materials subjected to a superlattice potential by combining degenerate perturbation theory with the method of symmetry indicators. In the absence of electronic interactions, our analysis provides a systematic rule to find the Chern number of the superlattice-induced miniband starting from the harmonics of the applied potential and a few material-specific coefficients. Our method also applies to anomalous (interaction-generated) bands, for which we derive an efficient algorithm to determine all Chern numbers compatible with a self-consistent solution to the Hartree-Fock equations. Our approach gives a microscopic understanding of the quantum anomalous Hall insulators recently observed in rhombohedral graphene multilayers. Published by the American Physical Society 2025
受长波长调制的二维材料已经成为研究拓扑和相关量子相的新平台。在本文中,我们开发了一种通用的、计算成本低廉的方法,通过将简并微扰理论与对称指标方法相结合来预测受超晶格势影响的材料的拓扑性质。在没有电子相互作用的情况下,我们的分析提供了一个系统的规则,可以从施加电位的谐波和一些材料特定系数开始找到超晶格诱导的小带的陈恩数。我们的方法也适用于异常(相互作用产生的)波段,为此我们推导了一种有效的算法来确定与Hartree-Fock方程的自洽解兼容的所有Chern数。我们的方法提供了一个微观的理解量子反常霍尔绝缘体最近观察到的菱形石墨烯多层。2025年由美国物理学会出版
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引用次数: 0
Recurrences Reveal Shared Causal Drivers of Complex Time Series 递归揭示复杂时间序列的共同因果驱动
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-01-13 DOI: 10.1103/physrevx.15.011005
William Gilpin
Unmeasured causal forces influence diverse experimental time series, such as the transcription factors that regulate genes or the descending neurons that steer motor circuits. Combining the theory of skew-product dynamical systems with topological data analysis, we show that simultaneous recurrence events across multiple time series reveal the structure of their shared unobserved driving signal. We introduce a physics-based unsupervised learning algorithm that reconstructs causal drivers by iteratively building a recurrence graph with glasslike structure. As the amount of data increases, a percolation transition on this graph leads to weak ergodicity breaking for random walks—revealing the shared driver’s dynamics, even from strongly corrupted measurements. We relate reconstruction accuracy to the rate of information transfer from a chaotic driver to the response systems, and we find that effective reconstruction proceeds through gradual approximation of the driver’s dynamical attractor. Through extensive benchmarks against classical signal processing and machine learning techniques, we demonstrate our method’s ability to extract causal drivers from diverse experimental datasets spanning ecology, genomics, fluid dynamics, and physiology. Published by the American Physical Society 2025
无法测量的因果力量影响着各种实验时间序列,例如调节基因的转录因子或引导运动回路的降序神经元。我们将斜积动态系统理论与拓扑数据分析相结合,证明了多个时间序列中同时发生的复现事件揭示了它们共同的未观测驱动信号的结构。我们介绍了一种基于物理学的无监督学习算法,该算法通过迭代建立具有玻璃结构的递归图来重建因果驱动因素。随着数据量的增加,该图上的渗滤转变会导致随机游走的弱遍历性破缺--揭示出共享驱动力的动态,即使是来自强破坏性测量的数据。我们将重构精度与从混沌驱动系统到响应系统的信息传输速率联系起来,发现有效的重构是通过逐步逼近驱动系统的动态吸引子进行的。通过对经典信号处理和机器学习技术的广泛基准测试,我们证明了我们的方法有能力从涵盖生态学、基因组学、流体动力学和生理学的各种实验数据集中提取因果驱动因素。 美国物理学会出版 2025
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引用次数: 0
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Physical Review X
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