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DOE OSTI2024

A Simulation Study of Quantum Clock Synchronization Using Teleportation

An important requirement in implementing distributed computing and sensing application is the synchronization of clocks at various locations. The Internet relies on the Network Time Protocol (NTP), which synchronizes clocks with accuracy in the order of milliseconds. More recently an ensemble of atomic clocks is used for navigation based on GPS. These clocks are highly accurate and provide time with very low uncertainty. Even so, many physics experiments such as distributed LIGO-based systems may require more accurate clock synchronization that is achievable using quantum entanglement. This requires the deployment of a network of quantum clocks synchronized by exploiting entangled atomic clock qubits. In this paper, we carry out a simulation study of synchronizing a network of quantum clocks interconnected by a fiber plant that supports the ESnet; the latter is used to support the classical communication needed for teleportation. We consider an existing protocol for synchro-nizing the atomic clock qubits that relies on the GHZ states. To assess the performance of the protocol we developed a discrete-event simulation of the network using IBM Qiskit framework for underlying quantum gate operations and measurements. The simulation results shed light on the resources required in terms of the number entangled qubits and the time needed to achieve the synchronization of different number of nodes in ESnet.

Kiran, Mariam↗

DOE OSTI2026

Quantum Stochastic Programming [SWR-26-040]

The Quantum Stochastic Programming tool contains quantum computing algorithms for two-stage stochastic optimization, with a focus on the Unit Commitment (UC) problem in power systems. The algorithms combine Discrete Quantum Annealing (DQA) with Quantum Amplitude Estimation (QAE) to compute expected-value objective functions over a probability distribution of wind-power scenarios. Based on: arXiv 2402.15029 - "Quantum algorithms for the two-stage stochastic unit commitment problem"

Maack, Jonathan [National Laboratory of the Rockie↗

DOE OSTI2024

Correlation function distributions for O ( N ) lattice field theories in the disordered phase

Numerical computations in strongly interacting quantum field theories are often performed using Monte Carlo sampling methods. A key task in these calculations is to estimate the value of a given physical quantity from the distribution of stochastic samples that are generated using the Monte Carlo method. Typically, the sample mean and sample variance are used to define the expectation values and uncertainties of computed quantities. However, the Monte Carlo sample distribution contains more information than these basic properties, and it is useful to investigate it more generally. In this work, the exact form of the probability distributions of two-point correlation functions at zero momentum in O ( N ) lattice field theories in the disordered phase and in infinite volume are determined. These distributions allow for a robust investigation of the efficacy of the Monte Carlo sampling procedure and are shown also to allow for improved estimators of the target physical quantity to be constructed. The theoretical expectations are shown to agree with numerical calculations in the O ( 2 ) model. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2026

MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations

We introduce the MixPI software to implement path integral molecular dynamics (PIMD) simulations for the study of condensed phase systems where nuclear quantum effects (NQEs) are important. In contrast to existing PIMD simulation software, MixPI enables the implementation of mixed quantum–classical path integral simulations where only a subset of system degrees of freedom (dofs) are treated quantum mechanically in an extended phase space while the remaining dofs are described classically. We expect this software to be particularly useful for simulations of electron and proton transfer in condensed phase systems, as well as for the study of biological and material systems where only a handful of dofs contribute significantly to the observed NQEs. We demonstrate the use of MixPI in two different systems. The first is a simple water model where we implement a set of mixed quantum–classical simulations to compute average energy and radial distribution functions. We use these simulations to benchmark the effectiveness of MixPI and to demonstrate how it enables systematic investigation into the origin of observed NQEs. We then compute radial distribution functions for a system where MixPI is essential: a solvated metal (M 2+ ) cation described using an explicit quantized electron localized on an M 3+ ion in water.

chemical physics↗

DOE OSTI2026

A Review of Software for Designing and Operating Quantum Networks

Quantum networks development is crucial to realizing a production-grade network that can support distributed sensing, secure communication, and utility-scale quantum computation. However, the transition from laboratory demonstration to deployable networks requires software implementations of architectures and protocols tailored to the unique constraints of quantum systems. This paper reviews the current state of software implementations for quantum networks, organized around a three-plane abstraction of infrastructure, logical, and control/service planes. We cover software for both designing quantum network protocols (e.g., SeQUeNCe, QuISP, and NetSquid) and operating testbeds, with a focus on essential control/service plane functions such as entanglement, topology, and resource management, in a proposed taxonomy. Our review highlights a persistent gap between theoretical architecture and protocol proposals and their realization in simulators or testbeds, particularly in dynamic topology and network management. We conclude by outlining open challenges and proposing a roadmap for developing scalable software architectures to enable hybrid, large-scale quantum networks.

Network Design↗

DOE OSTI2022

Quantum simulations of dark sector showers

We consider dark sector scenarios where dark matter is accompanied by a dark photon and multiple-flavor dark fermions charged under the dark gauge group. We study quantum interference effects in dark sector jets, where multiple dark photons are emitted from high-energy dark fermions. We perform fully quantum simulations of dark sector showers and compare the results against those of the classical Monte-Carlo simulations. We find important differences in probability distributions of dark photon countings between quantum and classical computations. When the number of dark-fermion flavors is large, we find significant enhancements in large numbers of dark photon emissions. Such enhancements can provide distinguishing signals for our scenarios at particle colliders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Large-scale integration of artificial atoms in hybrid photonic circuits

A central challenge in developing quantum computers and long-range quantum networks is the distribution of entanglement across many individually controllable qubits. Colour centres in diamond have emerged as leading solid-state ‘artificial atom’ qubits because they enable on-demand remote entanglement, coherent control of over ten ancillae qubits with minute-long coherence times and memory-enhanced quantum communication. A critical next step is to integrate large numbers of artificial atoms with photonic architectures to enable large-scale quantum information processing systems. So far, these efforts have been stymied by qubit inhomogeneities, low device yield and complex device requirements. Here we introduce a process for the high-yield heterogeneous integration of ‘quantum microchiplets’—diamond waveguide arrays containing highly coherent colour centres—on a photonic integrated circuit (PIC). We use this process to realize a 128-channel, defect-free array of germanium-vacancy and silicon-vacancy colour centres in an aluminium nitride PIC. Photoluminescence spectroscopy reveals long-term, stable and narrow average optical linewidths of 54 megahertz (146 megahertz) for germanium-vacancy (silicon-vacancy) emitters, close to the lifetime-limited linewidth of 32 megahertz (93 megahertz). We show that inhomogeneities of individual colour centre optical transitions can be compensated in situ by integrated tuning over 50 gigahertz without linewidth degradation. The ability to assemble large numbers of nearly indistinguishable and tunable artificial atoms into phase-stable PICs marks a key step towards multiplexed quantum repeaters and general-purpose quantum processors

36 MATERIALS SCIENCE↗

DOE OSTI2023

Advances in machine-learning-based sampling motivated by lattice quantum chromodynamics

Sampling from known probability distributions is a ubiquitous task in computational science, underlying calculations in domains from linguistics to biology and physics. Generative machine-learning (ML) models have emerged as a promising tool in this space, building on the success of this approach in applications such as image, text, and audio generation. Often, however, generative tasks in scientific domains have unique structures and features—such as complex symmetries and the requirement of exactness guarantees—that present both challenges and opportunities for ML. This Perspective outlines the advances in ML-based sampling motivated by lattice quantum field theory, in particular for the theory of quantum chromodynamics. Enabling calculations of the structure and interactions of matter from our most fundamental understanding of particle physics, lattice quantum chromodynamics is one of the main consumers of open-science supercomputing worldwide. Here, the design of ML algorithms for this application faces profound challenges, including the necessity of scaling custom ML architectures to the largest supercomputers, but also promises immense benefits, and is spurring a wave of development in ML-based sampling more broadly. In lattice field theory, if this approach can realize its early promise it will be a transformative step towards first-principles physics calculations in particle, nuclear and condensed matter physics that are intractable with traditional approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Unitary evolution with fluctuations and dissipation

We illustrate an extension of the classical Langevin equation to a quantum formulation of the treatment of dissipation and fluctuations of all collective degrees of freedom with unitary evolution of a many-fermion system within an extension of the time-dependent density functional theory. Furthermore, we reveal the method by computing the distribution of fission fragment yields for 258 Fm in a quantum hydrodynamic approach and a typical trajectory with full unrestricted density functional theory augmented with dissipation and fluctuations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Reliable Devices Yield Stable Quantum Computations

Stable quantum computation requires noisy results to remain bounded even in the presence of noise fluctuations. Yet non-stationary noise processes lead to drift in the varying characteristics of a quantum device that can greatly influence the circuit outcomes. Here we address how temporal and spatial variations in noise relate device reliability to quantum computing stability. First, our approach quantifies the differences in statistical distributions of characterization metrics collected at different times and locations using Hellinger distance. We then validate an analytical bound that relates this distance directly to the stability of a computed expectation value. Our demonstration uses numerical simulations with models informed by the washington superconducting transmon device. We find that the stability metric is consistently bounded from above by the corresponding Hellinger distance, which can be cast as a specified tolerance level. These results underscore the significance of reliable quantum computing devices and the impact for stable quantum computation.

Dasgupta, Samudra↗

DOE OSTI2023

Distributed Quantum Learning with co-Management in a Multi-tenant Quantum System

The rapid advancement of quantum computing has pushed classical designs into the quantum domain, breaking physical boundaries for computing-intensive and data-hungry applications with the hope that some systems may provide a quantum speedup. For example, variational quantum algorithms have been proposed for quantum neural networks to train deep learning models on qubits, achieving promising results. Existing quantum learning architectures and systems rely on single, monolithic quantum machines with abundant and stable resources, such as qubits. However, fabricating a large, monolithic quantum device is considerably more challenging than producing an array of smaller devices. In this paper, we investigate a distributed quantum system that combines multiple quantum machines into a unified system. We propose DQuLearn, which divides a quantum learning task into multiple subtasks. Each subtask can be executed distributively on individual quantum machines, with the results looping back to classical machines for subsequent training iterations. Additionally, our system supports multiple concurrent clients and dynamically manages their circuits according to the runtime status of quantum workers. Through extensive experiments, we demonstrate that DQuLearn achieves similar accuracies with significant runtime reduction, by up to 68.7% and an increase per-second circuit processing speed, by up to 3.99 times, in a 4-worker multi-tenant setting.

quantum computing↗

DOE OSTI2021

Quantum circuit cutting with maximum-likelihood tomography

Abstract We introduce maximum-likelihood fragment tomography (MLFT) as an improved circuit cutting technique for running clustered quantum circuits on quantum devices with a limited number of qubits. In addition to minimizing the classical computing overhead of circuit cutting methods, MLFT finds the most likely probability distribution for the output of a quantum circuit, given the measurement data obtained from the circuit’s fragments. We demonstrate the benefits of MLFT for accurately estimating the output of a fragmented quantum circuit with numerical experiments on random unitary circuits. Finally, we show that circuit cutting can estimate the output of a clustered circuit with higher fidelity than full circuit execution, thereby motivating the use of circuit cutting as a standard tool for running clustered circuits on quantum hardware.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts to extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Distribution of tunnelling times for quantum electron transport

In electron transport, the tunnelling time is the time taken for an electron to tunnel out of a system after it has tunnelled in. We define the tunnelling time distribution for quantum processes in a dissipative environment and develop a practical approach for calculating it, where the environment is described by the general Markovian master equation. We illustrate the theory by using the rate equation to compute the tunnelling time distribution for electron transport through a molecular junction. The tunnelling time distribution is exponential, which indicates that Markovian quantum tunnelling is a Poissonian statistical process. The tunnelling time distribution is used not only to study the quantum statistics of tunnelling along the average electric current but also to analyse extreme quantum events where an electron jumps against the applied voltage bias. The average tunnelling time shows distinctly different temperature dependence for p- and n-type molecular junctions and therefore provides a sensitive tool to probe the alignment of molecular orbitals relative to the electrode Fermi energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Evidence of Skewness and Sub-Gaussian Character in Temperature-Dependent Distributions of One Million Electronic Excitation Energies in PbS Quantum Dots

Obtaining statistical distributions by sampling a large number of conformations is vital for an accurate description of temperature-dependent properties of chemical systems. However, constructing distributions with 105??106 samples is computationally challenging because of the prohibitively high computational cost of performing rst-principles quantum-mechanical calculations. In this work, we present a new technique called the Eective Stochastic Potential Conguration Interaction Singles (ESP-CIS) method to obtain excitation energies. The ESP-CIS method uses random matrix theory for the construction of an eective stochastic representation of the Fock operator and combines it with linear-response theory. Here, we perform excitation calculations on PbS quantum dots (0.75-1.75 nm) at temperatures of 200-400 K. Results from a total of 15 million excitation energy calculations (1 million samples for each of the three dots at ve dierent temperatures) revealed the distributions to be sub-Gaussian in nature with negative skewness. The distributions progressively became red-shifted with increasing temperature. The study shows that random distortions in structure from the minimum-energy geometry of these quantum dots are more likely to lower the excitation energies.

Scher, Jeremy A.↗

DOE OSTI2020

Computing real time correlation functions on a hybrid classical/quantum computer

Quantum devices may overcome limitations of classical computers in studies of nuclear structure functions and parton Wigner distributions of protons and nuclei. In this talk, we discuss a worldline approach to compute nuclear structure functions in the high energy Regge limit of QCD using a hybrid quantum computer, by expressing the fermion determinant in the QCD path integral as a quantum mechanical path integral over 0 + 1-dimensional fermionic and bosonic world-lines in background gauge fields. Our simplest example of computing the well-known dipole model result for the structure function F 2 in the high energy Regge limit is feasible with NISQ era technology using few qubits and shallow circuits. We note this example can be scaled up in complexity and extended in scope to compute structure functions, scattering amplitudes and other real-time correlation functions in QCD, relevant for example to describe non-equilibrium transport of quarks and gluons in a Quark-Gluon-Plasma.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Hadron polarizability data analysis: GoAT

The A2 Collaboration at the Institute for Nuclear Physics in Mainz, Germany, is working towards determining the polarizabilities of hadrons from nonperturbative quantum chromodynamics through Compton scattering experiments at low energies. The asymmetry observables are directly related to the scalar and spin polarizabilities of the hadrons. Online analysis software, which will give real-time feedback on asymmetries, efficiencies, energies, and angle distributions, has been developed. The new software is a big improvement over the existing online code and will greatly develop the quality of the acquired data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Characterizing quantum supremacy in near-term devices

A critical question for quantum computing in the near future is whether quantum devices without error correction can perform a well-defined computational task beyond the capabilities of supercomputers. Such a demonstration of what is referred to as quantum supremacy requires a reliable evaluation of the resources required to solve tasks with classical approaches. Here, we propose the task of sampling from the output distribution of random quantum circuits as a demonstration of quantum supremacy. We extend previous results in computational complexity to argue that this sampling task must take exponential time in a classical computer. We introduce cross-entropy benchmarking to obtain the experimental fidelity of complex multiqubit dynamics. This can be estimated and extrapolated to give a success metric for a quantum supremacy demonstration. We study the computational cost of relevant classical algorithms and conclude that quantum supremacy can be achieved with circuits in a two-dimensional lattice of 7 × 7 qubits and around 40 clock cycles. This requires an error rate of around 0.5% for two-qubit gates (0.05% for one-qubit gates), and it would demonstrate the basic building blocks for a fault-tolerant quantum computer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗