arXiv subjects

Katherine Klymko

Publications and source records attributed to Katherine Klymko.

At least 19 recordsLinked to original sources

arXiv2026

A Heterogeneous Distributed Architecture for Quantum Simulation

Architectural specialization and distribution can help scale fault-tolerant quantum computers, but may also introduce substantial overheads from communication, routing, and resource duplication. We introduce a heterogeneous distributed architecture in which a magic core is connected to an extensible storage system composed of one-dimensional lanes of specialized cold-storage nodes. The storage system supports parallel random access to Pauli string parities. This organization is particularly well suited to fermionic quantum simulation, enabling parallel execution of the highly non-local Pauli strings arising from these systems. We evaluate the architecture on fault-tolerant simulations of the dynamics of the Fermi-Hubbard and sparse Sachdev-Ye-Kitaev (SYK) models on systems of up to 450 logical qubits. These workloads exhibit complementary communication structures: Fermi-Hubbard produces a spectrum of interactions from local to non-local shaped by lattice geometry, whereas sparse SYK produces highly non-local and overlapping Pauli operators. For a Trotter step of a 450-logical-qubit Fermi-Hubbard workload, a six-lane system with 30 T-state factories is within approximately $1.4\times$ the wall-clock time of a homogeneous distributed architecture with 4 times as many T-state factories and substantially greater connectivity and sites for injecting magic. For matched T-factory counts, our architecture is $\sim 2\times$ faster.

quant-ph↗

arXiv2026

Performance Model for Hybrid Quantum-Classical Workflows

Hybrid quantum-classical workflows are expected to underpin practical quantum computing applications, yet the quantum and HPC communities lack a shared framework for reasoning about where and when their integration requirements matter most. Such a framework must separate two distinct levels of analysis: the application level, where communication overhead affects runtime performance, and the real-time level, where it determines feasibility. To address this, we introduce a runtime model that decomposes workflow execution into quantum compute, classical compute, and communication costs. At the application level, a communication-to-computation ratio from this decomposition quantifies whether a workflow is communication-bound or compute-bound; at the real-time level, a feasibility constraint determines whether timing requirements can be met at all, with the reaction time setting the logical clock speed of fault-tolerant computation once they are. Application of this model to representative workflows demonstrates that co-location of quantum processors with HPC infrastructure offers negligible performance benefit for compute-intensive applications today, while tight integration remains crucial for real-time tasks such as quantum error correction needed for large scale quantum computations. However, we discuss how even at the application level these assessments may shift with hardware evolution, illustrating how the model can identify specific crossover conditions, and how, under fault tolerance, the reaction time can set application-level performance.

quant-ph↗

arXiv2026

Remote Entanglement in Lattice Surgery: To Distill, or Not to Distill

Distributed quantum computing can potentially address the scalability challenge by networking processors through photon-mediated remote entanglement. Prior approaches assumed that remote Bell pairs require distillation before use, incurring substantial overhead, to achieve sufficiently high fidelity. However, recent results show that lattice-surgery operations at logical qubit boundaries tolerate significantly higher error rates than previously assumed. We quantify the resource trade-offs between distillation overhead and surface-code distance requirements under realistic constraints including probabilistic entanglement generation and memory decoherence. We identify the fidelity crossover point separating the two regimes. Below this threshold, the distillation strategy dominates, reducing resource overhead by up to two orders of magnitude. Above it, no-distillation becomes the more efficient choice, reducing resource overhead by more than half. We briefly describe the application of these methods to ion-trap and neutral-atom platforms. These results provide joint design guidelines for optimizing photonic interconnects and fault-tolerant architectures in distributed quantum computing.

quant-ph↗

arXiv2026

Quantum criticality and nonequilibrium dynamics on a Lieb lattice of Rydberg atoms

Neutral-atom quantum simulators offer a promising approach to the exploration of strongly interacting many-body systems, with applications spanning condensed matter, statistical mechanics, and high-energy physics. Through a combination of quantum experiments, numerical calculations, and analytical methods, we demonstrate a rich set of phenomena accessible on such quantum simulators by studying an array of Rydberg atoms placed on the Lieb lattice. First, we map out the ground states and phase diagram of the system, identifying a range of density-wave-ordered phases -- including a collinear phase stabilized purely by quantum fluctuations -- and find good agreement between theory and experiment. Allowing for local control of the detuning field thereafter, we discover a quantum analog of the classical liquid-vapor transition between two density-wave phases distinguished by sublattice occupation, and probe its underlying hysteretic dynamics. Furthermore, we study out-of-equilibrium quantum quenches and observe anomalously slow relaxation dynamics consistent with the kinetic constraints of an emergent string phase. These results highlight how geometric control offered by neutral-atom simulators can extend the frontiers of programmable quantum matter, enabling access to complex phases, metastability, and thermalization dynamics in many-body quantum systems.

cond-mat.quant-gas↗

arXiv2026

Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo

The phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection technique for computing ground-state properties of strongly correlated quantum systems, with accuracy that depends critically on the choice of trial wavefunction. Here, we investigate ph-AFQMC with trial states prepared using parameterized quantum circuits. In this work, we present a comprehensive benchmarking study of quantum trial wavefunctions spanning unitary coupled-cluster, Hamiltonian-informed, Jastrow-inspired, and adaptively constructed ansatze. The benchmarking evaluates accuracy, expressibility, and scalability of these ansatze within the QC-AFQMC framework. We test these ansatze on linear hydrogen chains under bond stretching and find that several ansatz families produce chemically accurate ph-AFQMC energies across the dissociation curve. We have performed simulations using the CUDA-Q quantum development platform on the GPU partition of the Perlmutter supercomputer. When comparing ansatze at similar numbers of variational parameters, we find that different ansatz families yield comparable ph-AFQMC results despite exhibiting substantially different variational energies, optimization costs, and circuit depths. Our results indicate that the variational energy of an ansatz is not always a reliable indicator of its quality for ph-AFQMC and reveal instances of over-parameterization. In the strongly correlated regime, trial wavefunctions obtained from adaptive ansatze, exemplified here by ADAPT-VQE with the UCCSD operator pool, can outperform their fixed-ansatz counterparts (UCCSD) in terms of projected energies while using substantially more compact circuits, providing a flexible route to optimize quantum resources within the ph-AFQMC framework.

quant-ph↗

arXiv2026

Quantum-HPC Software Stacks and the openQSE Reference Architecture: A Survey

Quantum resources are increasingly integrated into high-performance computing (HPC) and cloud environments, but quantum high-performance computing (QHPC) software stacks remain isolated, often proprietary, full-stack solutions lacking common interfaces across runtime, resource management, orchestration, and execution layers. This paper analyzes nine production QHPC stacks and identifies common design patterns and emerging requirements, covering deployment models, application interaction patterns, SDK support, and readiness for fault-tolerant operation. The survey exposes consistent needs in runtime abstraction, resource management, interconnect semantics, and observability. Based on these findings, we propose the open quantum-HPC software ecosystem ( openQSE) reference architecture as a first step toward unifying the state-of-the-practice. openQSE defines a set of layer boundaries that allow different implementations to interoperate while preserving deployment flexibility, and is structured to support both current noisy intermediate-scale quantum (NISQ) workloads and future fault-tolerant quantum computing (FTQC) systems without changes to upper-layer application interfaces.

quant-ph↗

arXiv2026

Quantum Rational Transformation Using Linear Combinations of Hamiltonian Simulations

Rational functions are exceptionally powerful tools in scientific computing, yet their abilities to advance quantum algorithms remain largely untapped. In this paper, we introduce effective implementations of rational transformations of a target operator on quantum hardware. By leveraging suitable integral representations of the operator resolvent, we show that rational transformations can be performed efficiently with Hamiltonian simulations using a linear-combination-of-unitaries (LCU). We formulate two complementary LCU approaches, discrete-time and continuous-time LCU, each providing unique strategies to decomposing the exact integral representations of a resolvent. We consider quantum rational transformation for the ubiquitous task of approximating functions of a Hermitian operator, with particular emphasis on the elementary signum function. For illustration, we discuss its application to the ground and excited state problems. Combining rational transformations with observable dynamic mode decomposition (ODMD), our recently developed noise-resilient quantum eigensolver, we design a fully real-time approach for resolving many-body spectra. Our numerical demonstration on spin systems indicates that our real-time framework is compact and achieves accurate estimation of the low-lying energies.

quant-ph↗

arXiv2025

Efficient Measurement-Driven Eigenenergy Estimation with Classical Shadows

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader potential of these methods, particularly beyond ground state calculations, is underexplored. In this work, we introduce the framework of multi-observable dynamic mode decomposition (MODMD), which combines the observable dynamic mode decomposition, a measurement-driven eigensolver tailored for near-term implementation, with classical shadow tomography. MODMD leverages random scrambling in the classical shadow technique to construct, with exponentially reduced resource requirements, a signal subspace that encodes rich spectral information. Notably, we replace typical Hadamard-test circuits with a protocol designed to predict low-rank observables, thus marking a new application of classical shadow tomography for predicting many low-rank observables. We establish theoretical guarantees on the spectral approximation from MODMD, taking into account distinct sources of error. In the ideal case, we prove that the spectral error scales as $\exp(- ΔE t_{\rm max})$, where $ΔE$ is the Hamiltonian spectral gap and $t_{\rm max}$ is the maximal simulation time. This analysis provides a rigorous justification of the rapid convergence observed across simulations. To demonstrate the utility of our framework, we consider its application to fundamental tasks, such as determining the low-lying, i.e. ground or excited, energies of representative many-body systems. Our work paves the path for efficient designs of measurement-driven algorithms on near-term and early fault-tolerant quantum devices.

quant-ph↗

arXiv2025

Observation of an anomaly in the statistics of Kibble-Zurek defects

The Kibble-Zurek mechanism quantifies defect formation during adiabatic passage across a continuous phase transition, providing key insights into universality in quantum many-body systems. We explore counting statistics of defects in adiabatic passage experiments on long 1D Rydberg atom chains. The experiments reveal an anomaly in the defect number distribution at long ramp times, challenging the hypothesis of defect formation through independent domain mergers. Numerical simulations confirm the anomaly and suggest its link to non-critical coarsening dynamics, which we suppress in prepare-and-hold experiments. Our results highlight the ability of quantum simulators to uncover unexpected correlated quantum phenomena.

quant-ph↗

arXiv2025

Hybrid continuous-discrete-variable quantum computing: a guide to utility

Quantum computing has traditionally centered around the discrete variable paradigm. A new direction is the inclusion of continuous variable modes and the consideration of a hybrid continuous-discrete approach to quantum computing. In this paper, we discuss some of the advantages of this modality, and lay out a number of potential applications that can make use of it; these include applications from physics, chemistry, and computer science. We also briefly overview some of the algorithmic and software considerations for this new paradigm.

quant-ph↗

arXiv2025

The Practicality of Randomized Quantum Linear Systems Solvers

Randomized quantum algorithms have been proposed for quantum linear algebra with the goal of constructing shallower circuits than methods based on block encodings, and have been speculated to offer benefits in the early fault-tolerant era. In this work, we derive explicit, non-asymptotic error bounds on every algorithmic parameter of a randomized quantum linear systems solver that combines sampling from a Fourier series with Hamiltonian simulation, and confirm these bounds numerically. We show that even a $4 \times 4$ instance with condition number $\kappa = 100$ requires on the order of $10^{15}$ non-Clifford gates to converge, calling into question the practicality of such randomized schemes. Comparing the two Hamiltonian-simulation kernels, product formulas (PFs) and the random Taylor expansion (RTE), both our analytical bounds and experiments show RTE reaches a given target error with roughly an order of magnitude smaller total gate budget, although neither is practical. Our analysis bridges asymptotic proposals and hardware implementation.

quant-ph↗

arXiv2025

Probing emergent prethermal dynamics and resonant melting on a programmable quantum simulator

The dynamics of isolated quantum systems following a sudden quench plays a central role in many areas of material science, high-energy physics, and quantum chemistry. Featuring complex phenomena with implications for thermalization, non-equilibrium phase transitions, and Floquet phase engineering, such far-from-equilibrium quantum dynamics is challenging to study numerically, in particular, in high-dimensional systems. Here, we use a programmable neutral atom quantum simulator to systematically explore quench dynamics in spin models with up to 180 qubits. By initializing the system in a product state and performing quenches across a broad parameter space, we discover several stable, qualitatively distinct dynamical regimes. We trace their robustness to Floquet-like prethermal steady states that are stabilized over long emergent timescales by strong dynamical constraints. In addition, we observe sharp peaks in the dynamical response that are quantitatively explained by the structured melting of prethermalization through resonances. In two dimensions, we uncover a sharp dynamical response change that converges with increased system size, that is linked to the proliferation of Néel-order defects and indicative of a dynamical phase transition with no equilibrium analogs. Uncovering an intricate interplay between quantum prethermalization and emergent dynamical phases, our results demonstrate the use of quantum simulators for revealing complex non-equilibrium quantum many-body phenomena.

quant-ph↗

arXiv2025

Quantum Krylov Algorithm for Szegö Quadrature

We present a quantum algorithm to evaluate matrix elements of functions of unitary operators. The method is based on calculating quadrature nodes and weights using data collected from a quantum processor. Given a unitary $U$ and quantum states $|ψ_0\rangle$, $|ψ_1\rangle$, the resulting quadrature rules form a functional that can then be used to classically approximate $\langleψ_1|f(U)|ψ_0\rangle$ for any function $f$. In particular, the algorithm calculates Szegö quadrature rules, which, when $f$ is a Laurent polynomial, have the optimal relation between degree of $f$ and number of distinct quantum circuits required. The unitary operator $U$ could approximate a time evolution, opening the door to applications like estimating properties of Hamiltonian spectra and Gibbs states, but more generally could be any operator implementable via a quantum circuit. We expect this algorithm to be useful as a subroutine in other quantum algorithms, much like quantum signal processing or the quantum eigenvalue transformation of unitaries. Key advantages of our algorithm are that it does not require approximating $f$ directly, via a series expansion or in any other way, and once the output functional has been constructed using the quantum algorithm, it can be applied to any $f$ classically after the fact.

quant-ph↗

arXiv2025

A Closeness Centrality-based Circuit Partitioner for Quantum Simulations

Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum computation despite the limitations of current quantum hardware. However, these simulations often require large amounts of resources, necessitating the use of large clusters with thousands of compute nodes and large memory footprints. In this work, we introduce an end-to-end framework that provides an efficient partitioning scheme for large-scale QCs alongside a flexible code generator to offer a portable solution that minimizes data movement between compute nodes. By formulating the distribution of quantum states and circuits as a graph problem, we apply closeness centrality to assess gate importance and design a fast, scalable partitioning method. The resulting partitions are compiled into highly optimized codes that run seamlessly on a wide range of supercomputers, providing critical insights into the performance and scalability of quantum algorithm simulations.

quant-ph↗

arXiv2025

Quantum Computing Technology Roadmaps and Capability Assessment for Scientific Computing -- An analysis of use cases from the NERSC workload

The National Energy Research Scientific Computing Center (NERSC), as the high-performance computing (HPC) facility for the Department of Energy's Office of Science, recognizes the essential role of quantum computing in its future mission. In this report, we analyze the NERSC workload and identify materials science, quantum chemistry, and high-energy physics as the science domains and application areas that stand to benefit most from quantum computers. These domains jointly make up over 50% of the current NERSC production workload, which is illustrative of the impact quantum computing could have on NERSC's mission going forward. We perform an extensive literature review and determine the quantum resources required to solve classically intractable problems within these science domains. This review also shows that the quantum resources required have consistently decreased over time due to algorithmic improvements and a deeper understanding of the problems. At the same time, public technology roadmaps from a collection of ten quantum computing companies predict a dramatic increase in capabilities over the next five to ten years. Our analysis reveals a significant overlap emerging in this time frame between the technological capabilities and the algorithmic requirements in these three scientific domains. We anticipate that the execution time of large-scale quantum workflows will become a major performance parameter and propose a simple metric, the Sustained Quantum System Performance (SQSP), to compare system-level performance and throughput for a heterogeneous workload.

quant-ph↗

arXiv2025

Estimating Eigenenergies from Quantum Dynamics: A Unified Noise-Resilient Measurement-Driven Approach

Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid approach that finds the eigenenergies by collecting real-time measurements and post-processing them using the machinery of dynamic mode decomposition (DMD). From the perspective of quantum dynamics, we establish that our approach can be formally understood as a stable variational method on the function space of observables available from a quantum many-body system. We also provide strong theoretical and numerical evidence that our method converges rapidly even in the presence of a large degree of perturbative noise, and show that the method bears an isomorphism to robust matrix factorization methods developed independently across various scientific communities. Our numerical benchmarks on spin and molecular systems demonstrate an accelerated convergence and a favorable resource reduction over state-of-the-art algorithms. The DMD-centric strategy can systematically mitigate noise and stands out as a leading hybrid quantum-classical eigensolver.

quant-ph↗

arXiv2025

Efficient Classical Processing of Constant-Depth Time Evolution Circuits in Control Hardware

Improving quantum algorithms run-time performance involves several strategies such as reducing the quantum gate counts, decreasing the number of measurements, advancement in QPU technology for faster gate operations, or optimizing the classical processing. This work focuses on the latter, specifically reducing classical processing and compilation time via hardware-assisted parameterized circuit execution (PCE) for computing dynamical properties of quantum systems. PCE was previously validated for QCVV protocols, which leverages structural circuit equivalencies. We demonstrate the applicability of this approach to computing dynamical properties of quantum many-body systems using structurally equivalent time evolution circuits, specifically calculating correlation functions of spin models using constant-depth circuits generated via Cartan decomposition. Implementing this for spin-spin correlation functions in Transverse field XY (up to 6-sites) and Heisenberg spin models (up to 3-sites), we observed a run-time reduction of up to 50\% compared to standard compilation methods. This highlights the adaptability of time-evolution circuit with hardware-assisted PCE to potentially mitigate the classical bottlenecks in near-term quantum algorithms.

quant-ph↗

arXiv2025

Hardware-Assisted Parameterized Circuit Execution

Standard compilers for quantum circuits decompose arbitrary single-qubit gates into a sequence of physical X(pi/2) pulses and virtual-Z phase gates. Consequently, many circuit classes implement different logic operations but have an equivalent structure of physical pulses that only differ by changes in virtual phases. When many structurally-equivalent circuits need to be measured, generating sequences for each circuit is unnecessary and cumbersome, since compiling and loading sequences onto classical control hardware is a primary bottleneck in quantum circuit execution. In this work, we develop a hardware-assisted protocol for executing parameterized circuits on our FPGA-based control hardware, QubiC. This protocol relies on a hardware-software co-design technique in which software identifies structural equivalency in circuits and "peels" off the relevant parameterized angles to reduce the overall waveform compilation time. The hardware architecture then performs real-time "stitching" of the parameters in the circuit to measure circuits that implement a different overall logical operation. This work demonstrates significant speed ups in the total execution time for several different classes of quantum circuits.

quant-ph↗