arXiv subjects

Katherine Klymko

Publications and source records attributed to Katherine Klymko.

At least 37 records · Page 2Linked to original sources

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↗

arXiv2025

Simple Diagonal State Designs with Reconfigurable Real-Time Circuits

Unitary designs are widely used in quantum computation, but in many practical settings it suffices to construct a diagonal state design generated with unitary gates diagonal in the computational basis. In this work, we introduce a simple and efficient diagonal state 3-design based on real-time evolutions under 2-local Hamiltonians. Our construction is inspired by the classical Girard-Hutchinson trace estimator in that it involves the stochastic preparation of many random-phase states. Though the exact Girard-Hutchinson states are not tractably implementable on a quantum computer, we can construct states that match the statistical moments of the Girard-Hutchinson states with real-time evolution. Importantly, our random states are all generated using the same Hamiltonians for real-time evolution, with the randomness arising solely from stochastic variations in the durations of the evolutions. In this sense, the circuit is fully reconfigurable and thus suited for near-term realizations on both digital and analog platforms. Moreover, we show how to extend our construction to achieve diagonal state designs of arbitrarily high order.

quant-ph↗

arXiv2024

HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum computation, where a large collection of real-world problem instances would allow for benchmarking studies that in turn help to improve both algorithms and hardware designs. To this end, here we present a large dataset of qubit-based quantum Hamiltonians. The dataset, called HamLib (for Hamiltonian Library), is freely available online and contains problem sizes ranging from 2 to 1000 qubits. HamLib includes problem instances of the Heisenberg model, Fermi-Hubbard model, Bose-Hubbard model, molecular electronic structure, molecular vibrational structure, MaxCut, Max-$k$-SAT, Max-$k$-Cut, QMaxCut, and the traveling salesperson problem. The goals of this effort are (a) to save researchers time by eliminating the need to prepare problem instances and map them to qubit representations, (b) to allow for more thorough tests of new algorithms and hardware, and (c) to allow for reproducibility and standardization across research studies.

quant-ph↗

arXiv2024

A circuit-generated quantum subspace algorithm for the variational quantum eigensolver

Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum subspace techniques with the variational quantum eigensolver (VQE). In our approach, the parameterized quantum circuit is divided into a series of smaller subcircuits. The sequential application of these subcircuits to an initial state generates a set of wavefunctions that we use as a quantum subspace to obtain high-accuracy groundstate energies. We call this technique the circuit subspace variational quantum eigensolver (CSVQE) algorithm. By benchmarking CSVQE on a range of quantum chemistry problems, we show that it can achieve significant error reduction in the best case compared to conventional VQE, particularly for poorly optimized circuits, greatly improving convergence rates. Furthermore, we demonstrate that when applied to circuits trapped at a local minima, CSVQE can produce energies close to the global minimum of the energy landscape, making it a potentially powerful tool for diagnosing local minima.

quant-ph↗

arXiv2024

False vacuum decay and nucleation dynamics in neutral atom systems

Metastable states of quantum many-body systems with confinement offer a means to simulate false vacuum phenomenology, including non-equilibrium dynamical processes like decay by nucleation, in truncated limits. Recent work has examined the decay process in 1D ferromagnetic Ising spins and superfluids. In this paper, we study nucleation dynamics in 1D antiferromagnetic neutral atom chains with Rydberg interactions, using both numerical simulations and analytic modeling. We apply a staggered local detuning field to generate the metastable and ground states. Our efforts focus on two dynamical regimes: decay and annealing. In the first, we corroborate the phenomenological decay rate scaling and determine the associated parameter range for the decay process; in the second, we uncover and elucidate a procedure to anneal the metastable state from the initial to the final system, with intermediate nucleation events. We further propose experimental protocols to prepare the required states and perform quenches on near-term neutral atom quantum simulators, examining the experimental feasibility of our proposed setup and parameter regime.

quant-ph↗

arXiv2024

Long-lived oscillations of metastable states in neutral atom systems

Metastable states arise in a range of quantum systems and can be observed in various dynamical scenarios, including decay, bubble nucleation, and long-lived oscillations. The phenomenology of metastable states has been examined in quantum many-body systems, notably in 1D ferromagnetic Ising spin systems and superfluids. In this paper, we study long-lived oscillations of metastable and ground states in 1D antiferromagnetic neutral atom chains with long-range Rydberg interactions. We use a staggered local detuning field to achieve confinement. Using theoretical and numerical models, we identify novel spectral signatures of quasiparticle oscillations distinct to antiferromagnetic neutral atom systems and interpret them using a classical energy model of short-range meson repulsion. Finally, we evaluate the experimental accessibility of our proposed setup on current neutral-atom platforms and discuss experimental feasibility and constraints.

quant-ph↗

arXiv2024

Engineering quantum states with neutral atoms

Aquila, an analog quantum simulation platform developed by QuEra Computing, supports control of the position and coherent evolution of up to 256 neutral atoms. This study details novel experimental protocols designed for analog quantum simulators that generate Bell state entanglement far away from the blockade regime, construct a $Z_2$ state with a defect induced by an ancilla, and optimize the driving fields schedule to prepare excited states with enhanced fidelity. We additionally evaluate the effectiveness of readout error mitigation techniques in improving the fidelity of measurement results. All experiments were executed on Aquila from QuEra and facilitated by the AWS Braket interface. Our experimental results closely align with theoretical predictions and numerical simulations. The insights gained from this study showcase Aquila's capabilities in handling complex quantum simulations and computations, and also pave the way for new avenues of research in quantum information processing and physics that employ programmable analog hardware platforms.

quant-ph↗

arXiv2024

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

quant-ph↗

arXiv2024

Hardware-Efficient Randomized Compiling

Randomized compiling (RC) is an efficient method for tailoring arbitrary Markovian errors into stochastic Pauli channels. However, the standard procedure for implementing the protocol in software comes with a large experimental overhead -- namely, it scales linearly in the number of desired randomizations, each of which must be generated and measured independently. In this work, we introduce a hardware-efficient algorithm for performing RC on a cycle-by-cycle basis on the lowest level of our FPGA-based control hardware during the execution of a circuit. Importantly, this algorithm performs a different randomization per shot with zero runtime overhead beyond measuring a circuit without RC. We implement our algorithm using the QubiC control hardware, where we demonstrate significant reduction in the overall runtime of circuits implemented with RC, as well as a significantly lower variance in measured observables.

quant-ph↗

arXiv2023

Subspace methods for electronic structure simulations on quantum computers

Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the underlying Hilbert space. This projection transforms the Schrodinger equation into an eigenvalue problem determined by measurements carried out on a quantum device. The eigenvalue problem is then solved on a classical computer, yielding approximations to ground- and excited-state energies and wavefunctions. QSMs are examples of hybrid quantum-classical methods, where a quantum device supported by classical computational resources is employed to tackle a problem. QSMs are rapidly gaining traction as a strategy to simulate electronic wavefunctions on quantum computers, and thus their design, development, and application is a key research field at the interface between quantum computation and electronic structure. In this review, we provide a self-contained introduction to QSMs, with emphasis on their application to the electronic structure of molecules. We present the theoretical foundations and applications of QSMs, and we discuss their implementation on quantum hardware, illustrating the impact of noise on their performance.

quant-ph↗

arXiv2023

Efficient Quantum Counting and Quantum Content-Addressable Memory for DNA similarity

We present QCAM, a quantum analogue of Content-Addressable Memory (CAM), useful for finding matches in two sequences of bit-strings. Our QCAM implementation takes advantage of Grover's search algorithm and proposes a highly-optimized quantum circuit implementation of the QCAM oracle. Our circuit construction uses the parallel uniformly controlled rotation gates, which were used in previous work to generate QBArt encodings. These circuits have a high degree of quantum parallelism which reduces their critical depth. The optimal number of repetitions of the Grover iterator used in QCAM depends on the number of true matches and hence is input dependent. We additionally propose a hardware-efficient implementation of the quantum counting algorithm (HEQC) that can infer the optimal number of Grover iterations from the measurement of a single observable. We demonstrate the QCAM application for computing the Jaccard similarity between two sets of k-mers obtained from two DNA sequences.

quant-ph↗

arXiv2023

Real-Time Krylov Theory for Quantum Computing Algorithms

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.

quant-ph↗

arXiv2023

Remembering the work of Phillip L. Geissler: A coda to his scientific trajectory

Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He devised analytical and computational methods that revealed the underlying organization of complex systems at the frontiers of biology, chemistry, and materials science. In this retrospective, we celebrate his work at these frontiers.

cond-mat.stat-mech↗

arXiv2023

Tuning Nonequilibrium Phase Transitions with Inertia

In striking contrast to equilibrium systems, inertia can profoundly alter the structure of active systems. Here, we demonstrate that driven systems can exhibit effective equilibrium-like states with increasing particle inertia, despite rigorously violating the fluctuation-dissipation theorem. Increasing inertia progressively eliminates motility-induced phase separation and restores equilibrium crystallization for active Brownian spheres. This effect appears to be general for a wide class of active systems, including those driven by deterministic time-dependent external fields, whose nonequilibrium patterns ultimately disappear with increasing inertia. The path to this effective equilibrium limit can be complex, with finite inertia sometimes acting to accentuate nonequilibrium transitions. The restoration of near equilibrium statistics can be understood through the conversion of active momentum sources to passive-like stresses. Unlike truly equilibrium systems, the effective temperature is now density dependent, the only remnant of the nonequilibrium dynamics. This density-dependent temperature can in principle introduce departures from equilibrium expectations, particularly in response to strong gradients. Our results provide additional insight into the effective temperature ansatz while revealing a mechanism to tune nonequilibrium phase transitions.

cond-mat.soft↗

arXiv2022

Self-consistent Quantum Iteratively Sparsified Hamiltonian method (SQuISH): A new algorithm for efficient Hamiltonian simulation and compression

It is crucial to reduce the resources required to run quantum algorithms and simulate physical systems on quantum computers due to coherence time limitations. With regards to Hamiltonian simulation, a significant effort has focused on building efficient algorithms using various factorizations and truncations, typically derived from the Hamiltonian alone. We introduce a new paradigm for improving Hamiltonian simulation and reducing the cost of ground state problems based on ideas recently developed for classical chemistry simulations. The key idea is that one can find efficient ways to reduce resources needed by quantum algorithms by making use of two key pieces of information: the Hamiltonian operator and an approximate ground state wavefunction. We refer to our algorithm as the $\textit{Self-consistent Quantum Iteratively Sparsified Hamiltonian}$ (SQuISH). By performing our scheme iteratively, one can drive SQuISH to create an accurate wavefunction using a truncated, resource-efficient Hamiltonian. Utilizing this truncated Hamiltonian provides an approach to reduce the gate complexity of ground state calculations on quantum hardware. As proof of principle, we implement SQuISH using configuration interaction for small molecules and coupled cluster for larger systems. Through our combination of approaches, we demonstrate how SQuISH performs on a range of systems, the largest of which would require more than 200 qubits to run on quantum hardware. Though our demonstrations are on a series of electronic structure problems, our approach is relatively generic and hence likely to benefit additional applications where the size of the problem Hamiltonian creates a computational bottleneck.

quant-ph↗

arXiv2022

Time reversal symmetry breaking and odd viscosity in active fluids: Green-Kubo and NEMD results

Active fluids, which are driven at the microscale by non-conservative forces, are known to exhibit novel transport phenomena due to the breaking of time reversal symmetry. Recently, Epstein and Mandadapu [arXiv:1907.10041] obtained Green-Kubo relations for the full set of viscous coefficients governing isotropic chiral active fluids, including the so-called odd viscosity, invoking Onsager's regression hypothesis for the decay of fluctuations in active non-equilibrium steady states. In this Communication, we test these Green-Kubo relations using molecular dynamics simulations of a canonical model system consisting of actively torqued dumbbells. We find the resulting odd and shear viscosity values from the Green-Kubo relations to be in good agreement with values measured independently through non-equilibrium molecular dynamics (NEMD) flow simulations. This provides a test of the Green-Kubo relations, and lends support to the application of the Onsager regression hypothesis in relation to viscous behaviors of active matter systems.

cond-mat.stat-mech↗

arXiv2021

Computing Free Energies with Fluctuation Relations on Quantum Computers

Fluctuation relations allow for the computation of equilibrium properties, like free energy, from an ensemble of non-equilibrium dynamics simulations. Computing them for quantum systems, however, can be difficult, as performing dynamic simulations of such systems is exponentially hard on classical computers. Quantum computers can alleviate this hurdle, as they can efficiently simulate quantum systems. Here, we present an algorithm utilizing a fluctuation relation known as the Jarzynski equality to approximate free energy differences of quantum systems on a quantum computer. We discuss under which conditions our approximation becomes exact, and under which conditions it serves as a strict upper bound. Furthermore, we successfully demonstrate a proof-of-concept of our algorithm using the transverse field Ising model on a real quantum processor. The free energy is a central thermodynamic property that allows one to compute virtually any equilibrium property of a physical system. Thus, as quantum hardware continues to improve, our algorithm may serve as a valuable tool in a wide range of applications including the construction of phase diagrams, prediction of transport properties and reaction constants, and computer-aided drug design in the future.

quant-ph↗

arXiv2021

Phase Diagram of Active Brownian Spheres: Crystallization and the Metastability of Motility-Induced Phase Separation

Motility-induced phase separation (MIPS), the phenomenon in which purely repulsive active particles undergo a liquid-gas phase separation, is among the simplest and most widely studied examples of a nonequilibrium phase transition. Here, we show that states of MIPS coexistence are in fact only metastable for three-dimensional active Brownian particles over a very broad range of conditions, decaying at long times through an ordering transition we call active crystallization. At an activity just above the MIPS critical point, the liquid-gas binodal is superseded by the crystal-fluid coexistence curve, with solid, liquid, and gas all coexisting at the triple point where the two curves intersect. Nucleating an active crystal from a disordered fluid, however, requires a rare fluctuation that exhibits the nearly close-packed density of the solid phase. The corresponding barrier to crystallization is surmountable on a feasible timescale only at high activity, and only at fluid densities near maximal packing. The glassiness expected for such dense liquids at equilibrium is strongly mitigated by active forces, so that the lifetime of liquid-gas coexistence declines steadily with increasing activity, manifesting in simulations as a facile spontaneous crystallization at extremely high activity.

cond-mat.soft↗