Quantum Physics
Papers
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Monday 28 September
The motional modes of trapped ions are promising candidates for continuous-variable (CV) quantum computation and simulation. However, to achieve a universal gate set for CV quantum computation, anharmonic nonlinear unitaries are required. Here, we experimentally demonstrate a protocol that allows us to approximate the cubic phase gate. By numerically optimizing the phase angles and amplitudes of a set of state-dependent force pulses, we demonstrate the cubic phase gate for both vacuum and low-$\alpha$ coherent state inputs and verify its performance. Our protocol can also be extended to approximate other nonlinear unitaries.
Quantum Physics
Log-Euclidean Rényi Conditional Mutual Information
Quantum conditional mutual information (QCMI) is a fundamental measure of conditional independence, with central applications throughout quantum information theory and many-body physics. Despite its importance, finding a fully quantum Rényi generalization that satisfies all desirable structural properties has remained an open question. In this work, we introduce a quantum Rényi conditional mutual information possessing these desirable properties: it is monotone under local quantum channels, additive under tensor products, monotone in the Rényi parameter, and converges to the QCMI in the limit $\alpha \to 1$. We establish bounds on this quantity in terms of relative entropies to the Petz-recovered state, showing that it provides a distinct measure of approximate conditional independence. As a consequence, we derive recovery-based upper and lower bounds on the QCMI in terms of quantum generalizations of the Kullback-Leibler divergence, improving upon the best known results in certain regimes. Finally, we establish bounds in terms of relative entropies to the sets of Markov and separable states and derive Rényi chain rules, which appear to be novel even in the classical setting.
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Quantum Physics
Depth-Optimal Quantum Compilation
We achieve the first constant-depth circuit for arbitrary single-qubit gate synthesis. Unlike prior approaches, the construction is fully unitary and requires no pre-supplied catalyst. For any constant $\delta>0$, it $\varepsilon$-approximates an arbitrary single-qubit gate using $O(\log^{1+\delta}(1/\varepsilon))$ clean ancillae, Hadamard and $T$ single-qubit gates, $O(\log(1/\varepsilon))$-width generalized Toffoli gates, and sublogarithmic-width Fan-Out gates. We further eliminate Fan-Out entirely, showing that Hadamard, $T$, and generalized Toffoli gates alone suffice for constant-depth synthesis. When restricted to the standard bounded-width gate model, our construction has depth $O(\log\log(1/\varepsilon))$, and we prove a matching $\Omega(\log\log(1/\varepsilon))$-depth lower bound. Overall, we establish that $\Theta(\log\log(1/\varepsilon))$-depth is unavoidable with only bounded-width gates, yet allowing even logarithmic-width multi-qubit gates suffices to achieve constant-depth synthesis. These results also reveal new structure in shallow quantum circuit complexity. We give a depth-preserving real simulation of bounded-error decision computation, showing that every depth-$d$ QAC circuit can be simulated in depth $O(d)$ using only Hadamard, $X$, and generalized Toffoli gates. Thus arbitrary single-qubit rotations and complex amplitudes do not increase the bounded-error decision power of QAC, even at constant depth. In particular, this reduces the long-standing conjecture Parity$\notin$QAC$^0$ to proving a Parity lower bound against circuits consisting only of Hadamard, $X$, and generalized Toffoli gates. More generally, this real normal form exposes a direct correspondence between the standard shallow-depth quantum circuit hierarchy and a hierarchy of Forrelation circuits with restricted oracle families.
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Quantum Physics
Trotterisation Thresholds and Dissipative Quantum Chaos in Open-System Digital Quantum Simulation
Digital quantum simulation (DQS) is one of the most promising applications of quantum computing. Trotterised DQS models quantum dynamics by decomposing the evolution into a sequence of gate-based Trotter steps. Using larger Trotter steps reduces the required gate count, but it is now understood that the Trotterisation step size cannot be increased beyond a certain threshold value, beyond which there is a sudden breakdown in simulation accuracy, due to the onset of quantum chaos. To date, this behaviour has only been studied for closed systems not subjected to the environmental noise and decoherence to which real-world quantum computers are highly sensitive. In this work, we study a range of experimentally relevant open-system quantum simulator models and show that Trotterisation thresholds persist even when open-system effects are included, even in the long-time, steady-state limit, once all coherence has been lost. We show that open DQS can accurately reproduce the dynamics of open target systems prior to the threshold, but still exhibits a sudden performance breakdown beyond it. We introduce new, statistical techniques to rigorously characterise the onset of quantum chaos beyond the Trotterisation threshold for both approximately unitary and genuine dissipative quantum chaos, based on random matrix theory (RMT), building on techniques developed for closed systems. Finally, we demonstrate that dissipative quantum chaos emerges when the dissipation is in balance with the presence of underlying unitary quantum chaos; the dissipation must be strong enough to induce genuinely dissipative behaviour, yet not so strong as to suppress the underlying chaotic structure.
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Quantum Physics
Quantum Entanglement in Variational Quantum Classification for Breast Cancer Diagnosis
This study looks at how the entangling structure of a variational quantum classifier (VQC) relates to its performance in breast cancer diagnosis, using the Wisconsin Diagnostic Breast Cancer (WDBC) dataset. We tested three three-qubit configurations that share the same EfficientSU2 ansatz, COBYLA optimizer, and stratified five-fold cross-validation, but differ in their entangling structure: a single- repetition Ising-type coupling (A), a two-repetition linear Ising-type coupling (B), and a fully connected Heisenberg-type coupling (C). Entanglement was measured with the von Neumann entropy and the Wootters concurrence. From A to C, the mean entropy rose from 0.40 to 0.71, accuracy rose from 92.98% to 93.68%, and F1-score rose from 90.32% to 91.28%. Configuration C was also the most stable across folds. However, the fold-level correlations between entanglement and performance were weak and not significant. Richer topologies also increase circuit expressivity, so the two effects cannot be fully separated. These results show an association, not a proven causal link, between entangling structure and VQC performance.
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Quantum Physics
Microsecond-Programmable Synthetic Quantum Matter: Circumventing the Adiabatic Bottleneck for Heisenberg-Limited Metrology
Generating macroscopic quantum entanglement is central to quantum metrology. While traversing a quantum critical point yields Heisenberg-limited precision, adiabatic schemes are restricted by slow dynamics and decoherence. Here, we propose a non-adiabatic Floquet protocol in a single-cavity Bose-Einstein condensate to circumvent these limitations. By applying rapid rotations and phase jumps, we dynamically synthesize effective Two-Axis Twisting (TAT) interactions from native longitudinal couplings. To evaluate this beyond mean-field limits, we develop an exact finite-state automaton Matrix Product Operator (MPO) encoding that strictly bounds the virtual dimension to $\mathcal{O}(1)$, enabling exact DMRG and TDVP simulations for large systems. Tracking non-equilibrium Floquet TAT dynamics and environmental decoherence for $N=10^3$ ensembles, we demonstrate that the quench rapidly generates Heisenberg-limited spin squeezing ($\xi_R^2 \sim 1/N$). The microsecond timescale of this protocol decouples the generation process from typical millisecond decoherence, with phenomenological models revealing an optimal extraction time near $t \approx 3.26~\mu s$. This work establishes a feasible route for realizing Heisenberg-limited metrology in current cavity-QED platforms.
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Quantum Physics
Near-Optimal Bounds on the Density of Low-Energy States of $k$-Local Hamiltonians and Faster Quantum Algorithms
Low-energy estimation and state preparation for general $k$-local Hamiltonians are fundamental challenges in quantum complexity theory. Buhrman et al.~ [BGLGST, PRL 2025] recently broke the natural Grover bound $O^\ast(2^{n/2})$ for both problems, with the improvement depending on the relative accuracy $\varepsilon$ and the locality $k$. In this work, we present faster exponential quantum algorithms for these problems, where the binary entropy function governs the runtime exponent. For sufficiently small $\varepsilon/k$, our algorithms improve the exponent by a factor of $\log(k/\varepsilon)$ over [BGLGST, PRL 2025]. Our main technical result is an entropy-governed lower bound on the dimension of the Hamiltonian's low-energy subspace, obtained by depolarizing its ground state. For fixed $k$, this bound is optimal up to constant factors in the exponent. The same framework yields tighter bounds for Heisenberg, $XY$, and Ising models on arbitrary interaction graphs.
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Quantum Physics
Excitation Gap of a Confined Chiral Mode Measures Critical Zero-Point Fluctuations
Where uniform and chiral superradiant boundaries meet in a quantum Rabi ring, the quadratic theory leaves a degenerate chiral ladder with finite radial width. We show that adding one chiral quantum widens the ladder's radial wave function; the quartic coupling then raises the uniform quadratic coefficient. The resulting gap is proportional to the uniform zero-point variance divided by the atomic-to-cavity frequency ratio $\eta$: it closes as $\eta^{-2/3}$ while the variance grows as $\eta^{1/3}$. A quartic Schrödinger equation fixes both observables and the first correction to their ratio, as confirmed by full spin-photon diagonalization. A triangle of collective spins with Dzyaloshinskii-Moriya exchange obeys the same relation, with a different coefficient and a correction of opposite sign. The ring's three-coordinate spectrum connects this gap to the neighboring $\eta^{-1}$ and $\eta^{-1/3}$ laws and to photon-number saturation.
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Quantum Physics
Quantum Security of XOR of Permutations via Fourier Analysis
The XOR of two or more independent random permutations (XoP) is the prototypical pseudorandom function built from permutations achieving security beyond the birthday bound. The classical security of the XoP construction is well established, but its security against quantum attacks that query XoP in superposition has remained widely open. We prove that the XOR of $r\ge 2$ random permutations over $\{0,1\}^n$ is indistinguishable from a random function by any $q$-query quantum algorithm with advantage \[O\left(\min\left\{\frac{q^3}{2^{rn}},\frac{q^{1.5}}{2^{(r-0.5)n}},\frac{1}{2^{(r-1.5)n}}\right\}\right)\] for all $q\ll 2^n$. In particular, XoP remains secure throughout the entire query range, far beyond the $2^{n/3}$ bound due to quantum collision finding attacks. This is the first construction from permutations that achieves the quantum version of the beyond birthday bound security. We also present several heuristic attacks suggesting the tightness of our bounds in ranges $q\le 2^{n/2}$ and $\approx 2^n$. We use a Fourier-analytic variant of the polynomial method: the advantage of any $q$-query quantum algorithm is controlled by the Fourier components of degree at most $2q$, or by $2q$ input-output data of the construction. The norms of most components are bounded well, proving the bound $2^{-(r-3/2)n}$. The norm of low-degree components turn out to be too large for the bounds $q^3/2^{rn}$ and $q^{1.5}/2^{(r-0.5)n}$. We reinterpret these low-degree components as (sums of) advantages of the other problems. For example, the degree-2 and degree-4 terms are interpreted as the advantages against random functions with and without planted collisions, which in turn are bounded using Zhandry's small-range distributions. Along the way, we prove a new bound for the small-range indistinguishability for (ironically) large ranges, which is of independent interest.
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Quantum Physics
Coherence Rather Than Error Rate Governs Privacy in Multi-Tenant Quantum Computing
Multi-tenant computing enables providers of commercial cloud quantum processors to rent disjoint sectors of a device to independent users. Average gate error, which cloud quantum computing providers report, does not determine how much one tenant learns about another. We propose an information-theoretic notion of information leakage across co-tenancy boundaries stemming from quantum state distinguishability. We measure this leakage on commercially-available 156-qubit (IBM Kingston) and 20-qubit (IQM Garnet) devices. Boundaries with identical benchmarked error can offer significantly different amount of information leakage because standard reported measures of error are blind to coherent-versus-stochastic nature of the error while the proposed notion of information leakage is not. A uniform Pauli randomisation implemented over the victim's whole register is used as a defence mechanism to reduce the information leakage to zero. The defence theoretically does not incur a fidelity cost, but the experiments show a non-trivial degradation caused by accumulation of errors. We provide a specific call-for-action to the providers of quantum cloud computing to report information leakage in addition to standard error rates in their device datasheet to enable users to compute privacy and security risks prior to engagement with the device.
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Quantum Physics · Cross-listed from math-ph
Discontinuity of Continuum Fermion Dynamics
We study the Heisenberg dynamics of continuum fermions in $\IR^d$ interacting through a pair potential. For a large class of nonconstant pair potentials and under suitable assumptions on the dispersion relation and external potential, we prove that the dynamics fails to be pointwise-norm continuous even on the gauge-invariant CAR algebra. An automatic-continuity argument then shows that neither the CAR algebra nor its gauge-invariant subalgebra is invariant under the dynamics, with non-invariance occurring for almost all times.
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Quantum Physics
Observation of a topological defect state in the quantum Rabi model
Synthetic lattices built from hybrid qubit-oscillator systems provide a platform for exploring topology, with multiple physical degrees of freedom enabling control over lattice geometry. A single spin-oscillator pair, described by the quantum Rabi model, provides a minimal system supporting a topological defect state on a lattice formed from the oscillator's infinite ladder of number states. However, the realization of the defect state and its robustness remain experimentally unexplored. Here we realize a topological defect state of the quantum Rabi model in a single trapped $^{171}\mathrm{Yb}^{+}$ ion. As a coupling phase varies, reconstructed phase-space distributions yield centroid trajectories with windings of one and zero in two regimes, linking discrete-lattice topology to the geometry of the oscillator's continuous position-momentum space. The measured spin response to drive-amplitude modulation relates the stability of spin polarization to energy gaps and allowed transitions. Together, these results establish a minimal quantum system for realizing and probing topological defect states.
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Quantum Physics
Cavity magnonics and bound states in the continuum with Bragg and anti-Bragg mirrors
A periodic resonant emitter array coupled to a one-dimensional waveguide can act as a mirror. A typical example is a Bragg mirror, where emitters are spaced by multiples of half wavelengths and collectively enhance light reflection. Two such mirrors form an effective cavity that hosts bound states in the continuum (BICs). However, generating and detecting the spatial profiles of such BICs has proven challenging. Here, we experimentally demonstrate BICs in cavity magnonics using two periodic ferrimagnetic-sphere arrays and a probe sphere in a dual-open-waveguide architecture. We realize both Bragg and anti-Bragg cavities, whose mirrors have different lattice constants. In the Bragg cavity, there are degenerate supermodes formed by mirror spheres. We show that a single dark supermode coherently couples to the probe magnon in the cavity region, forming two polaritons whose splitting scales with both the probe-sphere size and the number of mirror spheres. By contrast, the anti-Bragg cavity has bright and dark supermodes in a bandgap, substantially changing the magnon-cavity interaction. Moreover, by moving the probe sphere, we perform position-dependent detection of the cavity field, highlighting the role of BICs in these cavities. Our flexible experimental setup with a scanning probe opens possibilities to detect other exotic states created by light-matter interaction, to interface with superconducting circuits in hybrid quantum networks, and to study non-Hermitian physics with Bragg and anti-Bragg cavities.
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Quantum Physics
Observation of a topological edge state among localized bulk states in the anisotropic quantum Rabi model
Topological phases are governed by discrete symmetries that protect boundary modes against local perturbations. When translational periodicity is absent, the bulk states also become localized, so that a topological edge state can no longer be distinguished from them by spatial localization alone. Here, we investigate the topological edge state (TES) and bulk eigenstates of the anisotropic quantum Rabi model (AQRM) in a trapped-ion quantum simulator. The AQRM hosts a topological phase in a one-dimensional synthetic lattice, whose translational symmetry is broken by the non-uniform couplings scaling with the site index. While both the TES and bulk states show localized distributions, we find that the TES exhibits well-defined chirality and near-complete spin–boson separability as signatures of the topological phase, in contrast to the bulk states. Phase-space tomography further reveals that the bosonic component of the TES is a squeezed vacuum state, with squeezing up to 6.45 dB. These results identify the TES through its intrinsic topological signatures and establish eigenstate-level characterization as a route to probing topological phenomena.
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Quantum Physics · Cross-listed from nucl-th
Nuclear scattering phase shifts with factorized geometric-time RODEO on a quantum processor
We reconstruct elastic $s$-wave neutron-proton ($np$) phase shifts from trapped spectra measured on IBM Aachen using a compressed RODEO circuit. For a schematic square-well interaction represented by classically constructed four-dimensional effective Hamiltonians, four positive-energy levels at five trap strengths supply twenty inputs to classical modified effective range expansion (MERE) extrapolation to free space. The six-cycle factorized geometric-time RODEO implementation (FG-R6) combines ancilla reuse, exact query-phase separation, post-compilation binding, and six numerically optimized geometric evolution times. Numerical cycle-count tests support this choice within the adopted local spectral tolerances. At the same three-qubit width and equal shot budgets, FG-R6 reduces median compiled depth and two-qubit-gate count by 33.1% and 37.2% relative to ten-cycle dynamic direct RODEO (direct R10), increases the median fitted amplitude, and lowers median finite-shot energy uncertainty from 0.610 to 0.534 keV. For this dataset's primary fit on the 0.1-30.0 MeV grid, the maximum central phase-shift deviation from exact-energy MERE decreases from $0.842^\circ$ to $0.163^\circ$, despite a larger root-mean-square (RMS) trapped-energy deviation. The full-grid gain arises mainly in the low-energy extrapolation region; direct R10 has slightly smaller residuals relative to the same reference on the 10.0-30.0 MeV common energy-interpolation subset. The FG-R6 central curve differs from the analytical square-well solution by at most $0.156^\circ$. Fit-form sensitivity remains appreciable and is assessed separately from finite-shot uncertainty. This reduced-space benchmark connects RODEO circuit compression to nuclear continuum observables and shows why circuit performance must be assessed through the scattering reconstruction and its energy range, not spectral RMS errors alone.
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Quantum Physics
Optimal Quantum Algorithms for Ordered Search
Ordered search is the problem of locating a target element in a sorted list of size $n$ using comparison queries. Classically, binary search requires $\lceil \log_2 n\rceil$ queries, which is optimal. Quantum algorithms offer a constant-factor speedup, but the precise constant has been a longstanding open question. We close this gap by exhibiting two new quantum algorithms for ordered search, each using the optimal $\frac{1}{\pi}\ln n+o(\log n)$ queries. The first, discovered by Claude Fable 5, is a simple zero-error algorithm derived from a continuum relaxation of the problem. The second, discovered by GPT-5.6-Sol (informed by Claude's zero-error algorithm), is an exact algorithm based on an analytic solution of the polynomial program of Farhi, Goldstone, Gutmann, and Sipser.
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Quantum Physics
A threshold for maximal Schmidt number from spectrum
The Schmidt number quantifies the dimensionality of entanglement in bipartite quantum states. We investigate when the spectrum of a state on $\mathbb{C}^d \otimes \mathbb{C}^d$ alone guarantees that its Schmidt number is not maximal. By deriving spectral bounds for $(d-1)$-block positive operators, we prove that $\mathrm{LS}_p\subseteq \mathrm{ASN}_{d-1}$ for $p\leq \lfloor d^2/2\rfloor$, where $\mathrm{LS}_p$ denotes the set of states whose largest eigenvalue does not exceed the sum of their $p$ smallest eigenvalues, and $\mathrm{ASN}_{d-1}$ denotes the set of states whose Schmidt number remains at most $d-1$ under all global unitaries. This also yields a simple sufficient condition involving only the largest eigenvalue. As an application, we show that states satisfying the reduction criterion under arbitrary global unitaries belong to $\mathrm{ASN}_{d-1}$ in every dimension. This subsumes the earlier result that absolutely positive partial transpose states belong to $\mathrm{ASN}_{d-1}$. The global unitary requirement is nevertheless essential: for every $d\geq3$, we construct states of maximal Schmidt number satisfying the reduction criterion on both subsystems.
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Quantum Physics
Monotonicity of the Rényi channel capacity under non-signaling assisted channel simulation
We give an alternative variational proof that non-signaling correlations shared between the sender and receiver cannot increase the Rényi capacity of a classical channel. This monotonicity follows from the data-processing inequality for channel divergences established by Oufkir, Yao and Berta. Our approach works directly with the information-radius representation of the capacity. The constraints defining non-signaling boxes are linear in the box, while the Rényi capacity depends on the channel nonlinearly. We use a Legendre transform to express the capacity as an extremum over a family of affine functionals in which the channel appears linearly. Combining this method with separate arguments for the Shannon capacity and endpoint orders, we recover monotonicity at every order from zero to infinity. We then derive consequences for standard coding exponent functions: non-signaling simulation cannot increase the random-coding or sphere-packing exponent below capacity, or decrease the strong-converse exponent above capacity.
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Quantum Physics
Quantum memory in an effective $\Lambda$-type system using dynamic detuning control of a superconducting qubit pair
We theoretically investigate quantum-light storage in an effective $\Lambda$-type system formed by a pair of tunable superconducting qubits coupled to a semi-infinite transmission line and separated by half a wavelength. The frequency detuning between the qubits directly couples the superradiant excited state and the subradiant metastable state. By adjusting the qubit detuning, the system exhibits a controllable spectral response accompanied by slow-light behavior. Dynamically controlling the detuning enables an incident quantum field to be mapped onto the subradiant collective state, stored as a long-lived excitation, and subsequently retrieved on demand. Our results establish the proposed system as a minimal and tunable quantum-memory architecture for scalable superconducting quantum networks.
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Quantum Physics
Nakayama's reduction of quantum topos and Bayesian quantum computing
Nakayama found the way to limit the contexts in the Döring-Isham topos quantum theory and unified such limitation and the definition of probability as a single choice of topology. We explain how this unification supports the Bayesian perspective where the probability changes as data is obtained. We describe this change as a local shift of the applicability of a predictive theory and apply it to quantum computing.
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Quantum Physics · Cross-listed from math-ph
The equivalence of topological indices for $\mathrm{U}(1)\rtimes\mathbb{Z}_2$-symmetric quantum spin chains
Symmetry-protected topological (SPT) phases in quantum spin chains are distinguished by topological indices. Ogata's operator-algebraic indices apply to a broad range of symmetry classes without requiring continuous symmetry, whereas the elementary twist index of Tasaki requires $\mathrm{U}(1)$ symmetry. We prove their equivalence in the common setting of integer-spin chains with on-site $\mathrm{U}(1)\rtimes\mathbb{Z}_2$ symmetry and a symmetric locally-unique gapped ground state, without assuming translation invariance or a matrix product representation. A charge-fluctuation estimate yields a strong-limit construction of half-chain rotations with their phases fixed. An exact group commutator identity then identifies the Ogata index with the limit of local twist expectations and gives an explicit error bound. This provides a computable formula for the index when a lower bound on the gap and the relevant ground-state expectations are available. Combining the equivalence with a recent boundary-field gap theorem of OpenAI and our earlier twist-index calculation, we obtain a spin-rotation-invariant locally-unique gapped ground state of the infinite $S=1$ antiferromagnetic Heisenberg chain with both indices equal to $-1$, without assuming infinite-volume uniqueness. The author formulated the problem and proposed the basic strategy, while ChatGPT Astra made substantial contributions to the development of the proof.
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Quantum Physics · Cross-listed from physics.optics
Tensor-Engineered Van der Waals NbOCl2 Resonant Metasurface for Polarization-entangled Bell State Generation
Polarization-entangled photon pairs are essential resources for quantum information technologies, yet realizing compact sources with intrinsically controllable entanglement remains challenging. Van der Waals (vdW) nonlinear materials such as NbOCl2 provide atomically thin platforms for quantum light generation, yet their native crystalline anisotropies as natural materials impose limitations on accessible quantum states. Here, we develop a resonant vdW nonlinear metasurface based on NbOCl2 that exploits its intrinsic optical anisotropy to engineer polarization-dependent nonlinear responses. The anisotropic optical dispersion enables selective manipulation of resonant modes, resulting in a three-order-of-magnitude enhancement of the nonlinear response along the c axis. By further tailoring these resonant modes, we redistribute the effective second-order nonlinear susceptibility tensor between orthogonal polarization channels, balancing the spontaneous parametric down-conversion pathways along the b and c axes. This enables polarization-entangled photon generation with a measured fidelity of up to 92%. Our work establishes metasurface-enabled nonlinear optical engineering as a strategy for enhancing and controlling quantum light generation in vdW materials, providing a pathway toward scalable quantum photonic platforms.
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Quantum Physics · Cross-listed from cond-mat.mtrl-sci
Native implementation of the machine-learned Skala exchange-correlation functional in CP2K: Unified one-centre reconstruction for molecular and condensed-phase calculations
We implement the machine-learned Skala exchange-correlation (XC) functional natively in CP2K using its Gaussian and plane-wave (GPW) and Gaussian and augmented-plane-wave (GAPW) methods. A joint one-centre reconstruction of density, density gradients, and kinetic-energy density before functional evaluation preserves mixed gradient terms and nonlocal couplings between smooth and atom-local contributions in all-electron and pseudopotential calculations. An XC-specific GAPW representation resolves rapidly varying local contributions on atom-centred grids, reducing plane-wave requirements for pseudopotential calculations. The implementation includes Brillouin-zone sampling and point-group symmetry reduction. With sufficiently flexible orbital bases, it retains the molecular benchmark accuracy of our earlier GauXC formulation. All-electron Skala-D3(BJ) calculations yield a mean absolute error (MAE) of 1.54 kJ mol$^{-1}$ against diffusion Monte Carlo for crystalline CO$_2$, NH$_3$, and urea, spanning dispersion, quadrupolar electrostatics, and hydrogen bonding. For all thirteen DMC-ICE13 phases, the MAEs are 1.16 kJ mol$^{-1}$ for absolute lattice energies and 0.82 kJ mol$^{-1}$ for the twelve relative energies to ice Ih. At fixed experimental geometries, all-electron/mixed-core calculations give a band-gap MAE of 0.43 eV on a 15-material set, substantially below commonly used semilocal functionals and comparable to widely used hybrid functionals. The LC10 benchmark nevertheless reveals systematically underestimated equilibrium lattice constants, indicating structural overbinding. This framework connects molecular Skala to condensed-phase electronic structure and enables future development using periodic many-body reference data.
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Sunday 27 September
Quantum Physics · Cross-listed from cond-mat.mes-hall
Magnetic localization and spectral asymmetry of a charged particle at a screw dislocation
We study a charged particle moving outside a spiral (screw) dislocation in a uniform magnetic field. Although the geometry is locally Euclidean, its global screw identification couples the conserved axial and azimuthal quantities through the combination \(\mathcal{J}=\ell-\beta k\) After eliminating the cyclic coordinates, the radial motion is governed by an inverse-square term determined by $\mathcal{J}$ and a harmonic confining term generated by the magnetic field. The corresponding reduced quantum problem is exactly solvable for $q\mathcal{B}_0\neq0$, yielding an equally spaced spectrum with an orientation-dependent energy shift. The radial probability density depends on $\mathcal{J}$, and opposite values of the screw-modified quantum number have identical spatial profiles but different energies for a fixed magnetic-field orientation. The radial size scales as \(\sqrt{\langle r^2\rangle_n}\propto |q\mathcal{B}_0|^{-1/2}\), with the magnetic length setting the localization scale. At $q\mathcal{B}_0=0$, the confining term vanishes, and the problem reduces to a scale-free inverse-square system. Thus, the screw parameter enters the dynamics through the global coupling of the conserved axial and azimuthal quantities, whereas the magnetic field provides radial confinement and its orientation determines the spectral asymmetry.
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Quantum Physics
QBX: A Compiler for 2-local Qubit Hamiltonian Simulation on Quantum Chiplets
2-local qubit Hamiltonian simulation, a fundamental task in quantum computing, is widely applied in various applications. This paper presents QBX, the first quantum compiler designed for 2-local qubit Hamiltonian simulation on quantum chiplet architectures. Existing general-purpose quantum compilers for chiplet architectures target quantum programs at the gate level and miss optimizations requiring high-level semantics of Hamiltonian simulation. Conversely, existing domain-specific compilers for Hamiltonian simulation are designed for monolithic architectures, and their limited scalability and inability to adapt to the heterogeneity of chiplet architectures lead to sub-optimal circuit outputs. QBX implements a scalable hierarchical approach to reduce both the amount and distance of cross-chiplet communications. It integrates the highway mechanism, a chiplet-oriented solution for efficient long-range qubit communication, to diminish cross-chiplet interaction costs. Furthermore, QBX efficiently aggregates 2-local Pauli strings into multi-target controlled gates, harnessing highways for deep optimization. Our evaluations show that QBX markedly outperforms both general-purpose and domain-specific compilers in circuit depth and operation count, while scaling to much larger 2-local Hamiltonian simulations.
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Quantum Physics
Swapping Quantum Annealing Errors into a Cavity
Quantum annealing is a promising form of quantum computation, but it slows down at a small energy gap $\Delta$ during the anneal, and the errors it makes there remain undetected. We introduce cavity quantum annealing, in which a cavity mode of frequency $O(1)\gg\Delta$, coupled mid-schedule, swaps these errors into photons. In the $p$-spin model, this reduces the annealing time to nearly the square root of that required without the cavity. Moreover, counting the photons certifies the result: high-photon runs, with an $O(1)$ yield, reach a ground-state fidelity above $99.99\%$ orders of magnitude sooner, a gain that grows exponentially with system size. A pre-loaded photon instead runs the swap in reverse, preparing an excited state. More broadly, our work shows that cavities can enhance computations performed with qubits, paving the way toward high-fidelity quantum state preparation by quantum annealing.
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Quantum Physics
Hardness of Approximating Quantum Code Distance Beyond $\sqrt{N}$
We study the computational complexity of approximating the minimum distance of a stabilizer code. Classically, the minimum distance problem is NP-hard to approximate even to within an additive gap linear in the block length. For quantum codes, however, the reductions of Kapshikar and Kundu and of Grigorescu, Jha and Samperton reach only an additive $O(\sqrt{N})$ gap in the block length $N$. We close this gap and, in a separate direction, initiate the fine-grained study of the problem. We show that no randomized algorithm approximates the distance to within an additive $\alpha N$, for a constant $\alpha > 0$, unless $\mathsf{NP} \subseteq \mathsf{coRP}$. In the fine-grained setting, for every $\varepsilon > 0$, no randomized $2^{(1-\varepsilon)\kappa}\,\mathrm{poly}(N)$-time algorithm computes the distance of a code with $\kappa$ logical qubits unless SETH falls; and no randomized $2^{o(N)}$-time algorithm approximates the distance to within a linear additive gap, on instances where block length, number of logical qubits, and gap are simultaneously linear, unless non-uniform Gap-ETH falls.
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Quantum Physics
Quantum-Computing Self-Consistent Kohn-Sham DFT: Plane-Wave-Orthonormalized Orbitals with a Dual-Basis Quantum Eigensolver
We present a first-quantization, all-electron, full-potential Kohn-Sham density functional theory method for quantum computers, based on a classically optimized quantum-circuit eigensolver for the self-consistent field (SCF) eigenproblems in any orthonormal basis. The plane-wave-orthonormalized-orbital (PWOO) basis combines plane waves with atomic orbitals (AOs) orthonormalized against them and one another. The eigensolver has a dual-basis form: after full-basis bootstrap steps, it solves each SCF step in a contracted basis of $K$ functions ($\lceil\log_2 K\rceil$ qubits), updated in the full basis when the residual outside it exceeds a threshold. For an H$_8$ chain (SVWN, $K=8$), the state-vector-emulated SCF agrees with classical calculations within 0.02 mHa for 32768 plane waves and PWOO bases up to cc-pVTZ; contraction changes these PWOO energies by at most 5.7 $\mu$Ha. With emulated shot noise, the STO-3G PWOO SCF converges near the noise-free fixed point. On IonQ Forte-1, three-qubit-register readout reproduces the noise-free PWOO-AO energy difference within one standard deviation.
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Quantum Physics
Nonlinear engineering of Hong-Ou-Mandel interference with structured light
A pair of photons entering a Hong-Ou-Mandel interferometer will bunch or anti-bunch depending on the symmetry of their state in the measured degree of freedom, resulting in constructive or destructive interference. For photon pairs generated through spontaneous parametric down-conversion, this symmetry can be engineered through linear transformations and projections applied to the photon pairs, or by tailoring the pump field. Here, we adopt the latter approach to demonstrate that the pump's parity affects the shape and frequency of the transition from constructive to destructive interference. We demonstrate this concept theoretically and experimentally using a rotating structured pump mode encoded in the Hermite-Gaussian and Laguerre-Gaussian bases. In the former case, we show that the transition exhibits a rich structure unique to the mode family, resulting in enhanced sensitivity as the mode order increases. In the latter case, we demonstrate, as with NOON states, an integer enhancement in angular resolution by a factor proportional to the orbital angular momentum content, thereby opening the possibility of Hong-Ou-Mandel-enhanced rotation sensing.
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Quantum Physics
Dynamic Sculpting of Photon Statistics in a Raman-Coupled Cavity QED System
Controlling photon statistics is pivotal to many applications in classical and quantum photonics. While steady-state photon statistics have been widely studied, dynamically manipulating these statistical properties in time remains elusive. Herein, we propose a scheme to actively control photon statistics between bunching and antibunching regimes through quantum interference. Our approach relies on a Raman-coupled cavity-atom system with parametric amplification, where time modulating the detuning of the intermediate state allows us to either deepen the photon blockade or enhance photon bunching. Simultaneous modulation of the cavity and intermediate-state detunings produces antibunching that cannot be achieved under static conditions or by modulating either detuning alone. Because the modulation is periodic, the antibunching reappears at regular time intervals, enabling time-gated photon antibunching under continuous-wave operation at a repetition rate determined by the modulation frequency. These results show a versatile mechanism based on Raman-assisted quantum interference for dynamically engineering photon correlations.