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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum computing in power systems

Electric power systems provide the backbone of modern industrial societies. Enabling scalable grid analytics is the keystone to successfully operating large transmission and distribution systems. However, today's power systems are suffering from ever-increasing computational burdens in sustaining the expanding communities and deep integration of renewable energy resources, as well as managing huge volumes of data accordingly. These unprecedented challenges call for transformative analytics to support the resilient operations of power systems. Recently, the explosive growth of quantum computing techniques has ignited new hopes of revolutionizing power system computations. Quantum computing harnesses quantum mechanisms to solve traditionally intractable computational problems, which may lead to ultra-scalable and efficient power grid analytics. This paper reviews the newly emerging application of quantum computing techniques in power systems. We present a comprehensive overview of existing quantum-engineered power analytics from different operation perspectives, including static analysis, transient analysis, stochastic analysis, optimization, stability, and control. We thoroughly discuss the related quantum algorithms, their benefits and limitations, hardware implementations, and recommended practices. We also review the quantum networking techniques to ensure secure communication of power systems in the quantum era. Finally, we discuss challenges and future research directions. This paper will hopefully stimulate increasing attention to the development of quantum-engineered smart grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Efficient Implementation of Artificial Neural Networks for Sensor Data Analysis Based on a Genetic Algorithm

The reliability of many industrial processes depends on the sensor system. However, these sensors can be affected by noise, perturbations and failures. Hence, sensor monitoring and diagnosis are fundamental to guarantee the quality of an industrial process. Nowadays, artificial neural networks (ANN) are widely used in sensor signal processing and diagnosis. However, those ANNs usually require many artificial neurons, being difficult to implement in software and hardware due to their high computational costs. This paper presents an optimized implementation of artificial neurons in ANNs for sensor data analysis using a Genetic Algorithm (GA). The objective of GA is to find an adequate segmentation to reduce the activation function approximation error. One of the advantages of the proposed approach is that the cost function used in GA considers the effect of factors such as the ANN architecture or the number of bits used in arithmetic operations. The proposed ANN implementation technique aims to get the best possible approximation for a specific ANN architecture, making easier its implementation in software and hardware. Simulation and experimental results using FPGA (Field Programmable Gate Array) prove the advantages of the proposed approach for implementing sensor data analysis systems based on ANNs.

D estefani, André↗
DOE OSTI2023

Material Identification From Radiographs Without Energy Resolution

We propose a method for performing material identification from radiographs without energy-resolved measurements. Material identification has a wide variety of applications, including in biomedical imaging, nondestructive testing, and security. While existing techniques for radiographic material identification make use of dual energy sources, energy-resolving detectors, or additional (e.g., neutron) measurements, such setups are not always practical— requiring additional hardware and complicating imaging. We tackle material identification without energy resolution, allowing standard X-ray systems to provide material identification information without requiring additional hardware. Assuming a setting where the geometry of each object in the scene is known and the materials come from a known set of possible materials, we pose the problem as a combinatorial optimization with a loss function that accounts for the presence of scatter and an unknown gain and propose a branch and bound algorithm to efficiently solve it. We present experiments on both synthetic data and real, experimental data with relevance to security applications— thick, dense objects imaged with MeV X-rays. We show that material identification can be efficient and accurate, for example, in a scene with three shells (two copper, one aluminum), our algorithm ran in six minutes on a consumer-level laptop and identified the correct materials as being among the top 10 best matches out of 8,000 possibilities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Securing Grid-interactive Efficient Buildings (GEB) through Cyber Defense and Resilient System (CYDRES)

The DOE CYDRES project is driven by the urgent need to address critical research gaps in the domain of cyber-physical security of smart buildings, including Grid-interactive Efficient Buildings (GEBs). CYDRES, a real-time advanced building resilient platform, aims to enhance the cyber-attack-immune capabilities of buildings through multi-layered prevention, detection, and adaptation mechanisms. CYDRES consists of five key modules: a multi-layer network analyzer, an Automatic Fault Detection, Diagnosis, and Prognosis (AFDDP) framework, an intelligent mode selector, a cyber-resilient control framework, and a situation awareness platform. The Network Analyzer employs a data-driven framework that includes a protocol state learning tool and a CRF (Conditional Random Field) command validator. In Hardware-In-the-Loop (HIL) testbeds, it achieved 100% detection accuracy with a false alarm rate of 3%, validating its efficacy in identifying selected cyber-attacks. The AFDDP framework leverages pattern matching, PCA (Principal Component Analysis)-based strategies, and a DBN (Dynamic Bayesian Network)-based fault diagnosis approach to pinpoint the causes of physical system abnormalities using Building Automation System (BAS) data. In HIL experiments, the AFDDP module attained a detection accuracy of over 95% with a false alarm rate below 7%. Additionally, the fault detector utilized machine learning (Random Forest) and deep learning (Multi-Layer Perceptron) methods with acoustic sensor data to achieve a 100% fault detection accuracy in Heating, Ventilation, and Air-Conditioning (HVAC) equipment. The Mode Selector offered real-time impact analysis, allowing immediate actions to protect BASs in the face of emerging threats. The cyber-resilient control framework included an adaptive Model Predictive Control (MPC) and a measurement compensator, reducing temperature violations by up to 94% and improving the total demand flexibility by up to 70% in HIL experiments. Such HIL experiments covered a cyber-attack case and a physical fault case, showcasing CYDRES’ efficiency in maintaining operational continuity during threats. The situation awareness platform in Grafana enhanced real-time threat detection and response visualization, augmenting the operational awareness for building operators. CYDRES demonstrated high technical effectiveness in various test scenarios, particularly in HIL environments. The project's phased development approach ensured efficient use of resources, highlighting its practical feasibility and readiness for commercialization. By enhancing the security and resilience of building operations, CYDRES represents a significant advance in mitigating risks associated with cyber-physical systems, thereby enhancing public confidence in the safety of modern building infrastructure. Future directions for the project include expanding testing protocols, refining AFDDP methodologies, exploring more comprehensive resilient control strategies, and testing in real commercial buildings.

42 ENGINEERING↗
DOE OSTI2025

Surrogate optimization of variational quantum circuits

Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of quantum advantage and high resource estimates, especially due to the need for optimization in the presence of noise. Finding algorithms and methods to improve convergence is important to accelerate the capabilities of near-term hardware for VQE or more broad applications of hybrid methods in which optimization is required. To this goal, we look to use modern approaches developed in circuit simulations and stochastic classical optimization, which can be combined to form a surrogate optimization approach to quantum circuits. Using an approximate (classical CPU/GPU) state vector simulator as a surrogate model, we efficiently calculate an approximate Hessian, passed as an input for a quantum processing unit or exact circuit simulator. This method will lend itself well to parallelization across quantum processing units. We demonstrate the capabilities of such an approach with and without sampling noise and a proof-of-principle demonstration on a quantum processing unit utilizing 40 qubits.

Gustafson, Erik J. [RIACS, Mtn. View] (ORCID:00000↗
DOE OSTI2020

Real-time Electromagnetic Transient Simulation of Multi-Terminal HVDC-AC Grids based on GPU

High-fidelity electromagnetic transient (EMT) simulation plays a critical role in understanding the dynamic behavior and fast transients involved in operation, control, and protection of Multi-Terminal dc (MTdc) grids. Here, this paper proposes a cost-effective high-performance real-time EMT simulation platform for large-scale cross-continental MTdc grids based on graphics processing unit (GPU). The proposed simulation platform: i) assembles detailed EMT models of all components within an MTdc-ac grid into a single platform. This setup provides a complete simulation solution to capture fast transient signals required for high-bandwidth controller design and protection studies without any compromise; ii) implements the first GPU-based simulation architecture and corresponding algorithms for MTdc-ac grids with real-time performance at scales of 1s; iii) is highly-efficient and balances the high utilization of GPU resources and low latency required for the simulation; and iv) outperforms the existing central processing unit (CPU)- or digital signal processor (DSP)/field-programmable gate array (FPGA)-based simulators in terms of its higher scalability on large-scale MTdc-ac grids and superior price-performance ratio on the hardware. Accuracy and performance of the proposed platform are evaluated with respect to the reference results from PSCAD/EMTDC environment.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Fast Adaptive Neural Control of Resonant Extraction at Fermilab

We present the development of a machine learning (ML) based regulation system for third-order resonant beam extraction in the Mu2e experiment at Fermilab. Classical and ML-based controllers have been optimized using semi-analytic simulations and evaluated in terms of regulation performance and training efficiency. We compare several controller architectures and discuss the integration of neural control into an adaptive framework. We also present progress on surrogate models that predict the controller response given a spill intensity and controller action history. To enable real-time deployment, we report progress on implementing low-latency, edge-based inference suitable for hardware-constrained environments. Our results demonstrate the feasibility and advantages of ML-based control in managing complex, time-varying physical systems, with broader implications for accelerator operations and other domains requiring fast, adaptive regulation.

Berlioz, Jose Rene [Fermilab]↗
DOE OSTI2025

Conceptual Design Report for the MATHUSLA Long-Lived Particle Detector near CMS

We present the Conceptual Design Report (CDR) for the MATHUSLA (MAssive Timing Hodoscope for Ultra-Stable neutraL pArticles) long-lived particle detector at the HL-LHC, covering the design, fabrication and installation at CERN Point 5. MATHUSLA is a 40 m-scale detector with an air-filled decay volume that is instrumented with scintillator tracking detectors, to be located near CMS. Its large size, close proximity to the CMS interaction point and about 100 m of rock shielding from HL-LHC backgrounds allows it to detect LLP production rates and lifetimes that are one to two orders of magnitude beyond the ultimate sensitivity of the HL-LHC main detectors for many highly motivated LLP signals. Data taking is projected to commence with the start of HL-LHC operations. We present a new 40m design for the detector: its individual scintillator bars and wavelength-shifting fibers, their organization into tracking layers, tracking modules, tower modules and the veto detector; define a high-level design for the supporting electronics, DAQ and trigger system, including supplying a hardware trigger signal to CMS to record the LLP production event; outline computing systems, civil engineering and safety considerations; and present preliminary cost estimates and timelines for the project. We also conduct detailed simulation studies of the important cosmic ray and HL-LHC muon backgrounds, implementing full track/vertex reconstruction and background rejection, to ultimately demonstrate high signal efficiency and $\ll 1$ background event in realistic LLP searches for the main physics targets at MATHUSLA. This sensitivity is robust with respect to detector design or background simulation details. Appendices provide various supplemental information.

Aitken, Branden [Victoria U.]↗
DOE OSTI2021

Beyond 4D tracking: using cluster shapes for track seeding

Tracking is one of the most time consuming aspects of event reconstruction at the Large Hadron Collider (LHC) and its high-luminosity upgrade (HL-LHC). Innovative detector technologies extend tracking to four-dimensions by including timing in the pattern recognition and parameter estimation. However, present and future hardware already have additional information that is largely unused by existing track seeding algorithms. The shape of pixel-clusters provides an additional dimension for track seeding that can significantly reduce the combinatorial challenge of track finding. We use neural networks to show that cluster shapes can reduce significantly the rate of fake combinatorical backgrounds while preserving a high efficiency. We demonstrate this using the information in cluster singlets, doublets and triplets. Numerical results are presented with simulations from the TrackML challenge.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Mixed-precision iterative refinement using tensor cores on GPUs to accelerate solution of linear systems

Double-precision floating-point arithmetic (FP64) has been the de facto standard for engineering and scientific simulations for several decades. Problem complexity and the sheer volume of data coming from various instruments and sensors motivate researchers to mix and match various approaches to optimize compute resources, including different levels of floating-point precision. In recent years, machine learning has motivated hardware support for half-precision floating-point arithmetic. A primary challenge in high-performance computing is to leverage reduced-precision and mixed-precision hardware. We show how the FP16/FP32 Tensor Cores on NVIDIA GPUs can be exploited to accelerate the solution of linear systems of equations Ax = b without sacrificing numerical stability. The techniques we employ include multiprecision LU factorization, the preconditioned generalized minimal residual algorithm (GMRES), and scaling and auto-adaptive rounding to avoid overflow. We also show how to efficiently handle systems with multiple right-hand sides. On the NVIDIA Quadro GV100 (Volta) GPU, we achieve a 4×-5× performance increase and 5× better energy efficiency versus the standard FP64 implementation while maintaining an FP64 level of numerical stability.

GMRES↗
DOE OSTI2020

High-Fidelity Software-Defined Quantum Logic on a Superconducting Qudit

We present an efficient approach to achieving arbitrary, high-fidelity control of a multilevel quantum system using optimal control techniques. As an demonstration, we implement a continuous, software-defined microwave pulse to realize a 0 ↔ 2 SWAP gate that achieves an average gate fidelity of 99.4%. We describe our procedure for extracting the system Hamiltonian, calibrating the quantum and classical hardware chain, and evaluating the gate fidelity. Our work represents an alternative, fully generalizable route towards achieving universal quantum control by leveraging optimal control techniques.

Superconducting qubits↗
DOE OSTI2025

Characterizing the Impact of GPU Power Management on an Exascale System

As GPU-accelerated high-performance computing (HPC) systems approach exascale performance, controlling energy consumption without compromising throughput is essential. Architectures such as the AMD MI250X-based Frontier supercomputer provide runtime mechanisms like frequency and power capping, enabling energy tuning without modifying application code. Although both target energy reduction, they operate via distinct hardware control paths and influence workloads differently. We present a comprehensive evaluation of these strategies on a leadership-class system using diverse HPC proxy applications representative of production workloads. Our study analyzes performance–energy trade-offs across multiple capping levels, node counts (1 and 32), and application profiles. Results show that frequency capping generally achieves higher energy efficiency and scalability, with gains of up to 13.2% without performance loss, while power capping is more effective for single-node runs or bursty GPU utilization. We also provide practical guidelines to help system administrators and users balance energy efficiency and performance in large-scale scientific workloads.

Costa, Mariana [Universidade Federal do Rio Grande↗
DOE OSTI2025

The Spectroscopic Stage-5 Experiment

The existence, properties, and dynamics of the dark sectors of our universe pose fundamental challenges to our current model of physics, and large-scale astronomical surveys may be our only hope to unravel these long-standing mysteries. In this white paper, we describe the science motivation, instrumentation, and survey plan for the next-generation spectroscopic observatory, the Stage-5 Spectroscopic Experiment (Spec-S5). Spec-S5 is a new all-sky spectroscopic instrument optimized to efficiently carry out cosmological surveys of unprecedented scale and precision. The baseline plan for Spec-S5 involves upgrading two existing 4-m telescopes to new 6-m wide-field facilities, each with a highly multiplexed spectroscopic instrument capable of simultaneously measuring the spectra of 13,000 astronomical targets. Spec-S5, which builds and improves on the hardware used for previous cosmology experiments, represents a cost-effective and rapid approach to realizing a more than 10$\times$ gain in spectroscopic capability compared to the current state-of-the-art represented by the Dark Energy Spectroscopic Instrument project (DESI). Spec-S5 will provide a critical scientific capability in the post-Rubin and post-DESI era for advancing cosmology, fundamental physics, and astrophysics in the 2030s.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Optics Enabled Networks and Architectures for Data Center Cost and Power Efficiency

Bandwidth demand for datacenter networks continues as performance increases and is further fueled by the exploding demand for AI and new HPC workloads. Managing power and costs will require a range of solutions including new networking and workload specialized architectures, composable systems and optical circuit switching. In this study we focus primarily on two topics, examining the benefits of flatter networks (enabled mainly by means of co-packaged-optics-enabled switches) and the utilization improvement potential for composable (disaggregated) systems, while discussing specialized hardware and networks, and optical circuit switching more briefly.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Probabilistic Neural Computing with Stochastic Devices

Abstract The brain has effectively proven a powerful inspiration for the development of computing architectures in which processing is tightly integrated with memory, communication is event‐driven, and analog computation can be performed at scale. These neuromorphic systems increasingly show an ability to improve the efficiency and speed of scientific computing and artificial intelligence applications. Herein, it is proposed that the brain's ubiquitous stochasticity represents an additional source of inspiration for expanding the reach of neuromorphic computing to probabilistic applications. To date, many efforts exploring probabilistic computing have focused primarily on one scale of the microelectronics stack, such as implementing probabilistic algorithms on deterministic hardware or developing probabilistic devices and circuits with the expectation that they will be leveraged by eventual probabilistic architectures. A co‐design vision is described by which large numbers of devices, such as magnetic tunnel junctions and tunnel diodes, can be operated in a stochastic regime and incorporated into a scalable neuromorphic architecture that can impact a number of probabilistic computing applications, such as Monte Carlo simulations and Bayesian neural networks. Finally, a framework is presented to categorize increasingly advanced hardware‐based probabilistic computing technologies.

Misra, Shashank↗
DOE OSTI2024

Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves

We formulate and implement a spectral method for solving the Schrödinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of the electronic structure of important technological materials such as nanotubes (of arbitrary chirality), nanowires, nanoribbons, chiral nanoassemblies, nanosprings and nanocoils, in an accurate, efficient and systematic manner. Our work is motivated by the observation that one of the most successful methods for carrying out electronic structure calculations of bulk/crystalline systems — the plane-wave method — is a spectral method based on eigenfunction expansion. Our scheme avoids computationally onerous approximations involving periodic supercells often employed in conventional plane-wave calculations of quasi-one-dimensional materials, and also overcomes several limitations of other discretization strategies, e.g., those based on finite differences and atomic orbitals. The basis functions in our method — called helical waves (or twisted waves) — are eigenfunctions of the Laplacian with symmetry adapted boundary conditions, and are expressible in terms of plane waves and Bessel functions in helical coordinates. We describe the setup of fast transforms to carry out discretization of the governing equations using our basis set, and the use of matrix-free iterative diagonalization to obtain the electronic eigenstates. Miscellaneous computational details, including the choice of eigensolvers, use of a preconditioning scheme, evaluation of oscillatory radial integrals and the imposition of a kinetic energy cutoff are discussed. We have implemented these strategies into a computational package called HelicES (Helical Electronic Structure). We demonstrate the utility of our method in carrying out systematic electronic structure calculations of various quasi-one-dimensional materials through numerous examples involving nanotubes, nanoribbons and nanowires. We also explore the convergence properties of our method, and assess its accuracy and computational efficiency by comparison against reference finite difference, transfer matrix method and plane-wave results. We anticipate that our method will find applications in computational nanomechanics and multiscale modeling, for carrying out transport calculations of interest to the field of semiconductor devices, and for the discovery of novel chiral phases of matter that are of relevance to the burgeoning quantum hardware industry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Cybersecurity Assessment in DER-rich Distribution Operations: Criticality Levels and Impact Analysis

The integration of distributed energy resources (DERs) in distribution networks has become a pivotal strategy for achieving decarbonization, enhancing grid resilience, and optimizing grid efficiency. Remote monitoring and control op- erations of such resources rely on a network of sensors and communication infrastructure, exposing the system to potential cyber threats. Therefore, as the deployment of DERs increases, ensuring secure monitoring and control becomes an imperative challenge. This paper utilizes real-time feeder models, which are instrumental in developing cybersecurity testbeds tailored for hardware-in-loop (HIL) systems. These models enable users to simulate cyber attacks in a real-world environment and analyze the power distribution operations during vulnerabilities. Furthermore, we discuss several practical sets of grid parameters to identify critical levels of DERs and evaluate various scenarios that simulate cyber threats on sensitive DERs. The modified IEEE 123-bus model is used as the test case for demonstrating the proposed scenarios. The findings from this study provide valuable insights into the vulnerabilities and potential consequences of cyber attacks on DERs, allowing for better mitigation strategies and improved cyber resilience in future distribution networks.

Maharjan, Manisha↗