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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Leveraging Hamiltonian simulation techniques to compile operations on bosonic devices

Circuit quantum electrodynamics enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e. qubit-oscillator) operations are realizable only through optimal control theory, which is oftentimes intractable and uninterpretable. We introduce an analytic approach with rigorously proven error bounds for realizing specific classes of operations via two matrix product formulas commonly used in Hamiltonian simulation, the Lie–Trotter–Suzuki and Baker–Campbell–Hausdorff product formulas. We show how this technique can be used to realize a number of operations of interest, including polynomials of annihilation and creation operators, namely (a) p (a † ) q for integer p, q. We show examples of this paradigm including obtaining universal control within a subspace of the entire Fock space of an oscillator, state preparation of a fixed photon number in the cavity, simulation of the Jaynes–Cummings Hamiltonian, and simulation of the Hong-Ou-Mandel effect. This work demonstrates how techniques from Hamiltonian simulation can be applied to better control hybrid qubit-boson devices.

bosonic qubits↗
DOE OSTI2025

Resilience–runtime tradeoff relations for quantum algorithms

Abstract A leading approach to algorithm design aims to minimize the number of operations in an algorithm’s compilation. One intuitively expects that reducing the number of operations may decrease the chance of errors. This paradigm is particularly prevalent in quantum computing, where gates are hard to implement and noise rapidly decreases a quantum computer’s potential to outperform classical computers. Here, we find that minimizing the number of operations in a quantum algorithm can be counterproductive, leading to a noise sensitivity that induces errors when running the algorithm in non-ideal conditions. To show this, we develop a framework to characterize the resilience of an algorithm to perturbative noises (including coherent errors, dephasing, and depolarizing noise). Some compilations of an algorithm can be resilient against certain noise sources while being unstable against other noises. We condense these results into a tradeoff relation between an algorithm’s number of operations and its noise resilience. We also show how this framework can be leveraged to identify compilations of an algorithm that are better suited to withstand certain noises.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Benchmarking quantum logic operations relative to thresholds for fault tolerance

Contemporary methods for benchmarking noisy quantum processors typically measure average error rates or process infidelities. However, thresholds for fault-tolerant quantum error correction are given in terms of worst-case error rates—defined via the diamond norm—which can differ from average error rates by orders of magnitude. One method for resolving this discrepancy is to randomize the physical implementation of quantum gates, using techniques like randomized compiling (RC). In this work, we use gate set tomography to perform precision characterization of a set of two-qubit logic gates to study RC on a superconducting quantum processor. We find that, under RC, gate errors are accurately described by a stochastic Pauli noise model without coherent errors, and that spatially correlated coherent errors and non-Markovian errors are strongly suppressed. We further show that the average and worst-case error rates are equal for randomly compiled gates, and measure a maximum worst-case error of 0.0197(3) for our gate set. Our results show that randomized benchmarks are a viable route to both verifying that a quantum processor’s error rates are below a fault-tolerance threshold, and to bounding the failure rates of near-term algorithms, if—and only if—gates are implemented via randomization methods which tailor noise.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Ancilla-free continuous-variable SWAP test

We propose a continuous-variable (CV) SWAP test that requires no ancilla register, thereby generalizing the ancilla-free SWAP test for qubits. In this ancilla-free CV SWAP test, the computational basis measurement is replaced by photon number-resolving measurement, and we calculate an upper bound on the error of the overlap estimate obtained from a finite Fock cutoff in the detector. As an example, we show that estimation of the overlap of pure, centered, single-mode Gaussian states of energy E and squeezed in opposite quadratures can be obtained to error ϵ using photon statistics below a Fock basis cutoff O(Elnϵ –1 ). This cutoff is greatly reduced to E + O(√ Elnϵ –1 ) when the states have rapidly decaying Fock tails, such as coherent states. We show how the ancilla-free CV SWAP test can be extended to many modes and applied to quantum algorithms such as variational compiling and entanglement spectroscopy in the CV setting. For the latter we also provide a new algorithm which does not have an analog in qubit systems. The ancilla-free CV SWAP test is implemented on Xanadu's 8-mode photonic processor in order to estimate the vacuum probability of a two-mode squeezed state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

QuComm: Optimizing Collective Communication for Distributed Quantum Computing

Distributed quantum computing (DQC) is a scalable way to build a large-scale quantum computing system while the error-prone nonlocal communication between DQC nodes may heavily degrade the fidelity of the distributed quantum program and thus demands specific compiler optimizations. Previous compilers on DQC communication optimization either assumes unlimited communication resource or a few communication qubits due to the hardware limitation. The former compilers may not be efficient when interfacing with communication-resource-constrained DQC hardware while the latter compilers lose the opportunities of optimizing collective communication and routing concurrent communication as they unnecessarily couple limited communication qubits with the implementation of expensive inter-node operations. In this paper, we invent the communication buffer, a communication facility consisting of idle qubits in each compute node, to decouple the execution of inter-node quantum operations from communication qubits: communication qubits are devoted to generating inter-node entanglement while internode operations are conducted in the communication buffer. The communication buffer provides an intermediate layer for inter-node communication and paves the way for collective communication optimization. We then propose QuComm, a buffer-based compiler framework that first performs smart buffer allocation according to communication characteristics of the distributed quantum program and then optimizes and collectively routes inter-node quantum operations. Experimental results on a hierarchical DQC system show that the proposed QuComm can reduce the most expensive inter-node communication request and the latency of various distributed quantum programs by 50.4% and 47.6% on average, respectively.

Wu, Anbang↗
DOE OSTI2021

Enabling Pulse-level Programming, Compilation, and Execution in XACC

Noisy gate-model quantum processing units (QPUs) are currently available from vendors over the cloud, and digital quantum programming approaches exist to run low-depth circuits on physical hardware. These digital representations are ultimately lowered to pulse-level instructions by vendor quantum control systems to affect unitary evolution representative of the submitted digital circuit. Vendors are beginning to open this pulse-level control system to the public via specified interfaces. Robust programming methodologies, software frameworks, and backend simulation technologies for this analog model of quantum computation will prove critical to advancing pulse-level control research and development. Prototypical use cases for this include error mitigation, optimal pulse control, and physics-inspired pulse construction. Here we present an extension to the XACC quantum-classical software framework that enables pulse-level programming for superconducting, gate-model quantum computers, and a novel, general, and extensible pulse-level simulation backend for XACC that scales on classical compute clusters via MPI. Our work enables custom backend Hamiltonian definitions and gate-level compilation to available pulses with a focus on performance and scalability. We end with a demonstration of this capability, and show how to use XACC for pertinent pulse-level programming tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Noise-aware circuit compilations for a continuously parameterized two-qubit gateset

State-of-the-art noisy-intermediate-scale quantum processors are currently implemented across a variety of hardware platforms, each with their own distinct gatesets. As such, circuit compilation should not only be aware of but also deeply connect to the native gateset and noise properties of each. Trapped-ion processors are one such platform that provides a gateset that can be continuously parameterized across both one- and two-qubit gates. Here we use the Quantum Scientific Computing Open User Testbed to study noise-aware compilations focused on continuously parameterized two-qubit 𝑍⁢𝑍 gates (based on the Mølmer-Sørensen interaction) using $\scriptsize{SUPERSTAQ}$, a quantum software platform for hardware-aware circuit compiler optimizations. We discuss the realization of 𝑍⁢𝑍 gates with arbitrary angle on the all-to-all connected trapped-ion system. Then we discuss a variety of different compiler optimizations that innately target these 𝑍⁢𝑍 gates and their noise properties. These optimizations include moving from a restricted maximally entangling gateset to a continuously parameterized one, swap mirroring to further reduce the total entangling angle of the operations, focusing the heaviest 𝑍⁢𝑍 angle participation on the best-performing gate pairs, and circuit approximation to remove the least impactful 𝑍⁢𝑍 gates. We demonstrate these compilation approaches on the hardware with randomized quantum volume circuits, observing the potential to realize a larger quantum volume as a result of these optimizations. Using differing yet complementary analysis techniques, we observe the distinct improvements in system performance provided by these noise-aware compilations and study the role of stochastic and coherent error channels for each compilation choice.

Noise↗
DOE OSTI2026

Solovay-Kitaev Algorithm and Randomized Compilation Data Availability

This zipped folder contains simulation notebooks, simulated data, and experimental data from the QSCOUT trapped-ion device that were used in the publication "Solovay-Kitaev Algorithm and Randomized Compilation" (https://doi.org/10.1103/ll6m-dbl7). The raw data is in the form of measurement outcomes of simple tomographic quantum circuits that were executed on the QSCOUT device and simulated using JAQALPAQ. These data are used to create plots within the jupyter notebooks that were included in the publication.

Quantum benchmarking↗
DOE OSTI2023

A Verified Optimizer for Quantum Circuits

We present VOQC, the first verified optimizer for quantum circuits, written using the Coq proof assistant. Quantum circuits are expressed as programs in a simple, low-level language called SQIR, a small quantum intermediate representation, which is deeply embedded in Coq. Optimizations and other transformations are expressed as Coq functions, which are proved correct with respect to a semantics of SQIR programs. SQIR programs denote complex-valued matrices, as is standard in quantum computation, but we treat matrices symbolically to reason about programs that use an arbitrary number of quantum bits. SQIR’s careful design and our provided automation make it possible to write and verify a broad range of optimizations in VOQC, including full-circuit transformations from cutting-edge optimizers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene

Understanding complex chemical systems—such as biomolecules, catalysts, and novel materials—is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined with a suitable ansatz. However, straightforward application of many chemically-inspired ansatze yields prohibitively deep circuits. In this work, we employ several circuit optimization methods tailored for trapped-ion quantum devices to enhance the feasibility of intricate chemical simulations. The techniques aim to lessen the depth of the unitary coupled cluster with singles and doubles (uCCSD) ansatz's circuit compilation, a considerable challenge on current noisy quantum devices. Furthermore, we use symmetry-inspired classical post-selection methods to further refine the outcomes and minimize errors in energy measurements, without adding quantum overhead. Our strategies encompass optimal mapping from orbital to qubit, term reordering to minimize entangling gates, and the exploitation of molecular spin and point group symmetry to eliminate redundant parameters. The inclusion of error mitigation via post-selection based on known molecular symmetries improves the results to near milli-Hartree accuracy. These methods, when applied to a benzene molecule simulation, enabled the construction of an 8-qubit circuit with 69 two-qubit entangling operations, pushing the limits for variational quantum eigensolver (VQE) circuits executed on quantum hardware to date. 1 1 This manuscript has been authored in part by UT-Battelle, LLC, under contract DE-AC05-000R22725 with the US Department of Energy (DOE). The publisher acknowledges the US government license to provide public access under the DOE Public Access Plan(https://energy.gov/doe-public-access-plan).

Goings, Joshua↗
DOE OSTI2025

A cross-platform execution engine for the quantum intermediate representation

Hybrid languages like the quantum intermediate representation (QIR) are essential for programming systems that mix quantum and conventional computing models, while execution of these programs is often deferred to a system-specific implementation. Here, we develop the QIR Execution Engine (QIR-EE) for parsing, interpreting, and executing QIR across multiple hardware platforms. QIR-EE uses LLVM to execute hybrid instructions specifying quantum programs and, by design, presents extension points that support customized runtime and hardware environments. We demonstrate an implementation that uses the XACC quantum hardware-accelerator library to dispatch prototypical quantum programs on different commercial quantum platforms and numerical simulators, and we validate execution of QIR-EE on IonQ, Quantinuum, and IBM hardware. Our results highlight the efficiency of hybrid executable architectures for handling mixed instructions, managing mixed data, and integrating with quantum computing frameworks to realize cross-platform execution.

LLVM↗
DOE OSTI2023

Increased Reliability for Near-Term Quantum Computers via Low-Level Control (CRADA Final Report)

This project helped narrow the gap between near-term hardware and practical applications of quantum computing through the development and implementation of optimized compilation and error mitigation techniques. These advances were enabled by low-level control available on the Advanced Quantum Testbed, and led to methods that characterized and improved the platform’s performance on quantum algorithms. Results of this work were published in the scientific literature and used to inform internal software development of partner Super.tech.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

TEQUILA: a platform for rapid development of quantum algorithms

Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are almost no standardized methods in quantum algorithmic development yet, and the field continues to evolve rapidly. As in classical computing, heuristics play a crucial role in the development of new quantum algorithms, resulting in a high demand for flexible and reliable ways to implement, test, and share new ideas. In this paper, inspired by this demand, we introduce TEQUILA, a development package for quantum algorithms in PYTHON, designed for fast and flexible implementation, prototyping and deployment of novel quantum algorithms in electronic structure and other fields. TEQUILA operates with abstract expectation values which can be combined, transformed, differentiated, and optimized. On evaluation, the abstract data structures are compiled to run on state of the art quantum simulators or interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Standard model physics and the digital quantum revolution: thoughts about the interface

Advances in isolating, controlling and entangling quantum systems are transforming what was once a curious feature of quantum mechanics into a vehicle for disruptive scientific and technological progress. Pursuing the vision articulated by Feynman, a concerted effort across many areas of research and development is introducing prototypical digital quantum devices into the computing ecosystem available to domain scientists. Through interactions with these early quantum devices, the abstract vision of exploring classically-intractable quantum systems is evolving toward becoming a tangible reality. Beyond catalyzing these technological advances, entanglement is enabling parallel progress as a diagnostic for quantum correlations and as an organizational tool, both guiding improved understanding of quantum many-body systems and quantum field theories defining and emerging from the standard model. Here, from the perspective of three domain science theorists, this article compiles thoughts about the interface on entanglement, complexity, and quantum simulation in an effort to contextualize recent NISQ-era progress with the scientific objectives of nuclear and high-energy physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A semi-agnostic ansatz with variable structure for variational quantum algorithms

Quantum machine learning—and specifically Variational Quantum Algorithms (VQAs)—offers a powerful, flexible paradigm for programming near-term quantum computers, with applications in chemistry, metrology, materials science, data science, and mathematics. Here, one trains an ansatz, in the form of a parameterized quantum circuit, to accomplish a task of interest. However, challenges have recently emerged suggesting that deep ansatzes are difficult to train, due to flat training landscapes caused by randomness or by hardware noise. This motivates our work, where we present a variable structure approach to build ansatzes for VQAs. Our approach, called VAns (Variable Ansatz), applies a set of rules to both grow and (crucially) remove quantum gates in an informed manner during the optimization. Consequently, VAns is ideally suited to mitigate trainability and noise-related issues by keeping the ansatz shallow. We employ VAns in the variational quantum eigensolver for condensed matter and quantum chemistry applications, in the quantum autoencoder for data compression and in unitary compilation problems showing successful results in all cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A time-parallel multiple-shooting method for large-scale quantum optimal control

Quantum optimal control plays a crucial role in quantum computing by providing the interface between compiler and hardware. Solving the optimal control problem is particularly challenging for multi-qubit gates, due to the exponential growth in computational complexity with the system's dimensionality and the deterioration of optimization convergence. To ameliorate the computational complexity of time-integration, this paper introduces a multiple-shooting approach in which the time domain is divided into multiple windows and the intermediate states at window boundaries are treated as additional optimization variables. Further, this enables parallel computation of state evolution across time-windows, significantly accelerating objective function and gradient evaluations. Since the initial state matrix in each window is only guaranteed to be unitary upon convergence of the optimization algorithm, the conventional gate trace infidelity is replaced by a generalized infidelity that is convex for non-unitary state matrices. Continuity of the state across window boundaries is enforced by equality constraints. A quadratic penalty optimization method is used to solve the constrained optimal control problem, and an efficient adjoint technique is employed to calculate the gradients in each iteration. We demonstrate the effectiveness of the proposed method through numerical experiments on quantum Fourier transform gates in systems with 2, 3, and 4 qubits, noting a speedup of 80x for evaluating the gradient in the 4-qubit case, highlighting the method's potential for optimizing control pulses in multi-qubit quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗