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At least 649 records · Page 36

Sim2Ls: FAIR simulation workflows and data

Just like the scientific data they generate, simulation workflows for research should be findable, accessible, interoperable, and reusable (FAIR). However, while significant progress has been made towards FAIR data, the majority of science and engineering workflows used in research remain poorly documented and often unavailable, involving ad hoc scripts and manual steps, hindering reproducibility and stifling progress. We introduce Sim2Ls (pronounced simtools) and the Sim2L Python library that allow developers to create and share end-to-end computational workflows with well-defined and verified inputs and outputs. The Sim2L library makes Sim2Ls , their requirements, and their services discoverable, verifies inputs and outputs, and automatically stores results in a globally-accessible simulation cache and results database. This simulation ecosystem is available in nanoHUB, an open platform that also provides publication services for Sim2Ls , a computational environment for developers and users, and the hardware to execute runs and store results at no cost. We exemplify the use of Sim2Ls using two applications and discuss best practices towards FAIR simulation workflows and associated data.

59 BASIC BIOLOGICAL SCIENCES↗

Design of Controller Hardware-In-the-Loop Model of Microgrid with Modular Building Blocks and Automated Design Script

The scalability of controller hardware-in-the-loop (CHIL) simulation is critical for validating control coordination and energy management in microgrids with distributed energy resources, especially as these modern systems become more complex and decentralized. This paper presents a CHIL modeling methodology that combines modular building blocks with an automated design script to streamline the development of high-fidelity microgrid models. Standardized subsystem templates for resources, converters, and buses are integrated with a Python-based script that compiles structured JSON configuration files into simulation-ready initialization code. The proposed approach reduces development time, improves model consistency, and enhances simulation fidelity. The methodology is validated on a Typhoon HIL604 platform and is broadly applicable to real-time simulation of complex, networked microgrid systems. This framework establishes a foundation for automated, scalable CHIL validation and accelerates the design of next-generation distributed energy systems.

Kim, Namwon [ORNL] (ORCID:0000000200438489)↗

Practical Implementation of GPU-based Computing at the Grid Edge for Resilience Scenarios

This paper presents a practical implementation of GPU-accelerated computing at the grid edge to enhance power system resilience through next-generation smart meters. Advanced Metering Infrastructure (AMI) systems rely predominantly on centralized processing architectures, which limit real-time response capabilities during grid disturbances. This work proposes the integration of GPU-enabled computational platforms directly within smart meter to enable local execution support for power system analytics, fault detection algorithms, and optimization routines. The proposed framework uses the Julia programming language to leverage highperformance parallel computing capabilities while maintaining code portability and development efficiency. We use two experimental scenarios to benchmark the computational feasibility of this approach: sparse linear system solutions representative of power flow analyses, and multi-stage production cost simulations incorporating unit commitment and economic dispatch operations. Results demonstrate that computationally intensive power system algorithms, such as those supporting resilience scenario calculations, can be effectively executed at the distribution edge using commercially available embedded GPU hardware. Keywords—GPU acceleration, edge computing, smart meters, grid resilience, AMI, resilience.

De Souza, Reubun [School of Electrical Engineering↗

Theoretical foundations of waste factor and waste figure with applications to fixed wireless access and relay systems

The growing energy demands of next-generation wireless systems call for unified, system-level metrics to evaluate and optimize energy efficiency. This paper advances the concept of the Waste Factor (W), or Waste Figure (WF) in decibel scale, as a general framework for modeling power loss across cascaded communication components. By integrating W into the Consumption Factor (CF)–the ratio of data rate to consumed power–we reveal how component inefficiencies influence the minimum achievable energy per bit. Closed-form expressions are derived for energy-per-bit consumption in both direct and relay-assisted links, along with a decision rule for selecting the more energy-efficient path. While not explicitly modeled, Reflective Intelligent Surfaces (RIS) are shown to fit naturally within this framework. The analysis is further applied to a Fixed Wireless Access (FWA) scenario, where asymmetries in traffic direction and hardware inefficiencies are jointly considered, demonstrating the utility of the Waste Factor in guiding energy-aware system design.

Sevim, Nurullah [Texas A&M University, College Sta↗

Inferring Quantum Network Topology Using Local Measurements

Statistical correlations that can be generated across the nodes in a quantum network depend crucially on its topology. However, this topological information might not be known a priori, or it may need to be verified. In this paper, we propose an efficient protocol for distinguishing and inferring the topology of a quantum network. We leverage entropic quantities-namely, the von Neumann entropy and the measured mutual information-as well as measurement covariance to uniquely characterize the topology. We show that the entropic quantities are sufficient to distinguish two networks that prepare GHZ states. Moreover, if qubit measurements are available, both entropic quantities and covariance can be used to infer the network topology without state-preparation assumptions. We show that the protocol can be entirely robust to noise and can be implemented via quantum variational optimization. Numerical experiments on both classical simulators and quantum hardware show that covariance is generally more reliable for accurately and efficiently inferring the topology, whereas entropy-based methods are often better at identifying the absence of entanglement in the low-shot regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fast, Controllable, and Modular Solid-State Circuit Breaker Design for Battery Management Systems

Electric power grid is experiencing a growing number of distributed and inertia-free generation resources. To facilitate the growing generation and load demands, and ensure stable operation, energy storage systems, especially behind-themeter-storage (BTMS), have emerged as a potential candidate. BTMS plays a vital role in the grid storage sector and supports high power charging for EVs. However, the potential of thermal runaway and associated safety concerns in the batteries can hamper their widespread adoption. In this work, we provide a solution for a fast and controllable discharge of a cell that was identified as a stressful/faulty, in the battery pack, and fast circuit breaking leveraging the Solid-State Circuit Breaker (SSCB) technology which provides active control over the cell connection as opposed to conventional passive solutions. Testing on the simulation platform successfully validated the concept, demonstrating its efficacy. Controlled discharge testing with 20Ah LiFePO4 Lithium Iron Phosphate (LFP) cells from 1C-10C current rate on the hardware prototype corroborated simulation results, demonstrating design feasibility and providing essential data for its performance and thermal characteristics, while also revealing limitations that inform areas for further optimization.

33 ADVANCED PROPULSION SYSTEMS↗

Advantages of imperfect dice rolls over coin flips for random number generation

With an eye toward neural-inspired probabilistic computation, recent work has examined the development of true random number generators via stochastic devices. Typically, these devices are operated in a two-state regime to produce a sequence of binary outcomes (i.e., coin flips). However, there is no guarantee that stochastic devices will infallibly produce fair outputs and small deviations from a uniform distribution may have unwanted complications in applications. Using mathematical analysis, we contend that opting instead for a multi-state device (i.e., a dice roll) has benefits in these unfair paradigms. To demonstrate these benefits, we apply this framework to the analysis of a tunnel diode operated in a stochastic regime. In particular, interpreting the binary stochastic output of the tunnel diode as a multi-state die roll output also sees advantages in remaining closer to uniform. Overall, our approach provides a compelling argument for mathematical driven co-design and development of novel probabilistic computing devices and hardware.

applied mathematics↗

Machine learning for continuous quantum error correction on superconducting qubits

Abstract Continuous quantum error correction has been found to have certain advantages over discrete quantum error correction, such as a reduction in hardware resources and the elimination of error mechanisms introduced by having entangling gates and ancilla qubits. We propose a machine learning algorithm for continuous quantum error correction that is based on the use of a recurrent neural network to identify bit-flip errors from continuous noisy syndrome measurements. The algorithm is designed to operate on measurement signals deviating from the ideal behavior in which the mean value corresponds to a code syndrome value and the measurement has white noise. We analyze continuous measurements taken from a superconducting architecture using three transmon qubits to identify three significant practical examples of non-ideal behavior, namely auto-correlation at temporal short lags, transient syndrome dynamics after each bit-flip, and drift in the steady-state syndrome values over the course of many experiments. Based on these real-world imperfections, we generate synthetic measurement signals from which to train the recurrent neural network, and then test its proficiency when implementing active error correction, comparing this with a traditional double threshold scheme and a discrete Bayesian classifier. The results show that our machine learning protocol is able to outperform the double threshold protocol across all tests, achieving a final state fidelity comparable to the discrete Bayesian classifier.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ubiquitous Power Electronics in Future Power Systems: Recommendations to fully utilize fast control capabilities

Power electronics is becoming ubiquitous in power systems because the rapid growth of variable renewable generation such as wind and solar, responsive load, electric vehicles, energy storage, as well as DC transmission. As a result, a high percentage of electricity will be generated, transmitted or consumed by power electronics in the future power system. Such a high penetration of power electronics is changing power system operation landscapes and dynamic characteristics. Two major kinds of impact are reduced system mechanical inertia by inverter-based resources displacing conventional generation and active participation of many distributed energy resources through inverters. This has caused significant reliability challenges for power system operation. The mitigation approach so far has mostly focused on accommodating power electronics inverters as passive devices or creating synthetic inertias to make inverter-based generation behaving as conventional generators. However, the high-speed control capabilities of power electronics present new opportunities for achieving an optimal performance beyond conventional power systems. A lower-inertia system can be more responsive for improving reliability, and distributed small resources can be more adaptive and scalable for better flexibility and resilience. Power electronic inverters are capable of multiple fast control functions. To fully utilized the ubiquitous power electronics in power systems requires technology advancements in the following areas: data and communications to capture the new dynamic behaviors introduced by power electronics; modeling and simulation to understand the behaviors of power electronics and its interactions with other components in the context of power systems; control and optimization methods for fully utilizing the capabilities of power electronics for a new paradigm of performance beyond the traditional inertia-heavy system; and significant upgrades in power electronics hardware to cater to the new control capabilities. If properly controlled and optimized, power electronics can help transform the power system to be responsive, adaptive, and scalable.

Huang, Zhenyu↗

Accurate Consensus-based Distributed Averaging with Variable Time Delay in Support of Distributed Secondary Control Algorithms

We report that distributed secondary control has been widely used in hierarchical control structures, where multiple distributed generators (DGs) need to coordinate to regulate system voltage and frequency. In these systems, consensus algorithms determine the average of a group of dynamic states (e.g. voltages measured by a group of DGs). To be useful, consensus algorithms must be computationally efficient, stable and accurate. In practice, numerous practical implementation challenges significantly affect the consensus equilibrium. In this paper, we quantify the accuracy deviations of the distributed average observer algorithms proposed in the literature to demonstrate the problems with the state-of-the-art distributed averaging techniques. A novel approach is proposed that achieves accurate average tracking in the presence of time-varying communication delays among agents. In our implementation, time synchronization of all distributed controllers is enabled by a novel software platform, called Resilient Information Architecture Platform for the Smart Grid (RIAPS). The proposed distributed average observer is implemented on hardware controllers and its effectiveness is validated in a controller hardware-in-the-loop testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A National Infrastructure for Artificial Intelligence on the Grid (NI4AI) (Final Scientific/Technical Report)

Electric utilities have traditionally taken a very pragmatic yet myopic approach with grid sensors and the resulting collected data. Sensors are purchased and deployed to solve a specific, known problem that has risen to sufficient awareness as to justify the effort of deploying sensors and the needed capital investment. This sensor data flows into proprietary software packages with limited functionality intended only to address the initial problem. This approach aligns with the financial incentives of the utility to deploy capital into fixed hardware assets for which the corporations earn a rate of return. This mentality stands in stark contrast to the big data revolution that started nearly 25 years ago with the rise of Google. In this worldview, data is a fundamental business asset; successful organizations collect, store, explore, merge, and exploit as much data as possible to not only solve problems well understood today but also to tackle new problems that will inevitably rise tomorrow. The ARPA-E Open Innovation 2018 project entitled A National Infrastructure for Artificial Intelligence on the Grid or NI4AI for short was designed to demonstrate this alternative paradigm for using data. To do this, the project was composed of three key thrust areas. The first major component deployed a variety of high-frequency grid sensors and captured terabytes of both wide-scale and localized grid measurements, generating high-value datasets for grid research and algorithm development. The second aspect made available PingThings’ PredictiveGridTM, a horizontally scalable, cloud-based data management and AI platform built for time series data to explore and exploit the collected data. Finally, the project fostered a diverse and open research community composed of experts from numerous fields through focused educational content, code sharing, and data science competitions. Shifting away from “single use” sensors and closed data silos within electric utilities is a major benefit to the public at large. This legacy approach to data is incredibly (1) capital intensive (new sensors must be deployed for each new problem and problems tend to arise continuously) and (2) painfully slow (new problems must be identified first and then new sensors must be deployed to collect data to begin to address the issue). The transition to a carbon neutral grid requires a massive transformation of the existing grid infrastructure and will continue to challenge the legacy grid in unforeseen ways. The only way to make the energy transition cost effective is for utilities to abandon this dated data paradigm and adopt more contemporary approaches. NI4AI has shown that it is technically possible and economically feasible to ingest, explore, and exploit grid data collected from even very high frequency sensing, such as continuous point on wave sensors collecting measurements 10,000 times a second. In fact, the PredictiveGrid platform used is commercially available and deployed at several utilities in the United States. Project accomplishments were numerous and included (1) making available a state of the art time series platform to the community, (2) collecting over 520 streams of time series data from grid sensors totaling over 1 trillion grid measurements, and (3) developing and nurturing a community within the industry focused on the use of data to create value for utilities and, ultimately, end consumers.

97 MATHEMATICS AND COMPUTING↗

Artificial Intelligence for Autonomous Molecular Design: A Perspective

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗

A Novel Framework for Optimizing Ramping Capability of Hybrid Energy Storage Systems

Hybrid Energy Storage System has been widely applied in aerospace, electric vehicle, and microgrid applications. The advantages are that they include complimentary technologies with both high power and energy capabilities. HESS have the potential to be useful to the bulk power systems, for example to increase the value of energy produced by variable generation resource through enabling participation in ancillary service markets. Actualizing the benefits of HESSs requires optimizing the combined ramping capability of aggregated HESS resources. To provide quality ancillary service, source of HESSs locating at multiple sites of variable generation resource must be optimally sized and cohesively controlled. Optimizing aggregated resources can be formulated as an optimization problem. Successfully solving this problem not only requires using effective solution methods but also depends on accurately and rapidly setting the necessary parameters in the problem formula. This article proposes a novel framework with double-layer structure to solve the optimization problem of aggregating ramping capability. Program developed on the upper layer focuses on solving the optimization of aggregating ramping capability among multiple HESSs and is compatible with most existing optimization algorithms. Program on lower layer of the framework targets at optimizing the local control of a single HESS based on a thorough analytics of HESS operation strategy presented in this article. Result of local optimization is also provided to upper layer program for updating the parameters in formula of optimization problem. Real time hardware-in-the-loop test is conducted to verify the performance of the optimization framework developed. The work presented is expected to provide guidance for implementing this framework in practical operation.

Luo, Yushen↗

Quantum-Based Molecular Dynamics Simulations Using Tensor Cores

Tensor cores, along with tensor processing units, represent a new form of hardware acceleration specifically designed for deep neural network calculations in artificial intelligence applications. Tensor cores provide extraordinary computational speed and energy efficiency but with the caveat that they were designed for tensor contractions (matrix–matrix multiplications) using only low-precision floating-point operations. Despite this perceived limitation, we demonstrate how tensor cores can be applied with high efficiency to the challenging and numerically sensitive problem of quantum-based Born–Oppenheimer molecular dynamics, which requires highly accurate electronic structure optimizations and conservative force evaluations. The interatomic forces are calculated on-the-fly from an electronic structure that is obtained from a generalized deep neural network, where the computational structure naturally takes advantage of the exceptional processing power of the tensor cores and allows for high performance in excess of 100 Tflops on a single Nvidia A100 GPU. Stable molecular dynamics trajectories are generated using the framework of extended Lagrangian Born–Oppenheimer molecular dynamics, which combines computational efficiency with long-term stability, even when using approximate charge relaxations and force evaluations that are limited in accuracy by the numerically noisy conditions caused by the low-precision tensor core floating-point operations. A canonical ensemble simulation scheme is also presented, where the additional numerical noise in the calculated forces is absorbed into a Langevin-like dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards Software Bill of Materials in the Nuclear Industry

Large, modern industrial facilities often incorporate thousands of digital assets in their operational technology. Regulated facilities, such as nuclear power plants (NPPs), maintain robust cybersecurity and configuration management programs that often use bills of materials (BOMs) for these assets, including make, model, and version of hardware, firmware, and software. However, these BOMs typically capture only first- or second-tier information provided by the original equipment manufacturer (OEM). Unfortunately, as indicated by the increasing number and sophistication of software supply chain attacks, this level of detail is insufficient for identifying all the potential vulnerabilities and risks in software applications. Software BOMs (SBOMs) provide detailed enumeration of components and dependencies within the product or devices, including firmware. SBOMs can be combined with vulnerability data sources and vendor vulnerability attestations to improve vulnerability management and enable rapid identification of affected components when new software vulnerabilities are discovered. Ideally, SBOMs are created by the OEM prior to installation. However, since this practice is not yet commonplace and since NPPs are typically slow to adopt new technology, most NPPs do not incorporate SBOMs into their asset or configuration management programs. Fortunately, SBOMs can be generated by NPPs on existing digital assets to provide further insight into risk management decisions. This report provides an overview of the current SBOM ecosystem and recommends guidance on how to get started in a “crawl, walk, run” manner to develop and implement a sustainable SBOM program for digital assets in an NPP.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Jupiter Laser Facility Annual Report, FY 2025

Dear JLF community, I cannot believe I am now entering my third year as JLF director — time definitely flies when you are having fun! FY25 was another pivotal year for the Jupiter Laser Facility, marked by both scientific achievement and growing visibility for our community. Building on the successful reopening and refurbishment of the facility, we continued to demonstrate how JLF drives innovation in high energy density and fusion energy science, laser technology, and workforce development. Across Janus, Titan, and COMET, users executed a diverse portfolio of experiments, from dynamic compression and opacity measurements to laser plasma interactions, laboratory astrophysics, and advanced diagnostics. These efforts are highlighted in this report, including the development of new probes that capture the time evolution of plasmas on a single shot, and diagnostics and platforms that are already impacting experiments at NIF and other large facilities. JLF continues to serve as both a testbed for new ideas and a bridge to larger scale campaigns. FY25 also showcased the broader role of JLF within the Laboratory and the national HED science ecosystem. The NIF JLF User Groups Meeting in February brought nearly 180 participants to Livermore and highlighted the scientific progress made during JLF’s first full year of renewed operations. JLF research and users were recognized with Director’s Institutional Awards and Early and Mid Career awards, underscoring the quality and impact of the work performed here. Our team also contributed prominently to national conversations about laser safety, plasma physics, and inertial fusion energy through invited talks, conferences, and professional society leadership. JLF’s integration with LaserNetUS deepened this year as well. We launched a new technical exchange program across LaserNetUS facilities and kicked it off with a JLF team visit to the BELLA Center at Lawrence Berkeley National Laboratory. These exchanges are strengthening operations, sharing best practices, and improving the user experience across the network. Filming for the LaserNetUS “Behind the Scenes” series and participation in the annual LaserNetUS meeting further increased the visibility of our facility and our users. At the same time, JLF continues to play a central role in ambitious new programs, such as the Big Aperture Thulium laser effort funded through one of the DOE Office of Science Microelectronics Science Research Centers, which will use JLF infrastructure to explore next generation high rep rate lasers for EUV and x-ray source development. A core part of our mission remains training the next generation of scientists. In FY25, we welcomed another cohort of summer students, who joined experimental teams on Titan and presented their research at LLNL’s student poster symposium and national inertial fusion energy meetings. JLF users and early career scientists showcased their work at conferences across the country, highlighting experiments performed at the facility. These hands on experiences, and the mentoring provided by our staff and user teams, are central to JLF’s identity as a true user facility. Finally, FY25 reinforced JLF’s role as a focal point for partnerships and outreach. We hosted visits from international collaborators, science leaders, and we shared the story of the facility through venues such as the Big Ideas Lab podcast. These interactions help connect our work to a broader scientific and policy audience and open new pathways for collaboration. As we look ahead, the combination of refurbished hardware, new capabilities like STILETTO and enhanced short pulse performance on Titan, strong partnerships across LLNL and LaserNetUS, and a growing user community positions JLF for an even more ambitious program in the coming years. I am deeply grateful to our technical and operations staff for their dedication, to our LLNL partners for their continued support, and to our users for bringing bold, creative ideas to the facility. I look forward to more experiments, capabilities, partnerships, and groundbreaking science in the years to come! With brightest regards, Félicie Albert, JLF Director.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Enabling control co-design of the next generation of wind power plants

Abstract. Layout design and wake steering through wind plant control are important and complex components in the design and operation of modern wind power plants. They are currently optimized separately, but with more and more computational and experimental studies demonstrating the gains possible through wake steering, there is a growing need from industry and regulating bodies to combine the layout and control optimization in a co-design process. However, combining these two optimization problems is currently infeasible due to the excessive number of design variables and large solution space. In this article, we present a method that enables the coupled optimization of wind power plant layout and wake steering with no additional computational expense than a traditional layout optimization. We developed a geometric relationship between wind turbines to find an approximate optimal yaw angle, bypassing the need for either a nested or coupled wind plant control optimization. It also provides a significant and immediate improvement to wind power plant design by enabling the co-design of turbine layout and yaw control for wake steering. A small co-designed plant shown in this article produces 0.8 % more energy than its sequentially designed counterpart. This additional energy production comes with no additional infrastructure, turbine hardware, or control software; it is simply the outcome of optimizing the turbine layout and yaw control together, resulting in millions of dollars of additional revenue for the wind power plants of the future.

17 WIND ENERGY↗

Dynamic Microgrids in Resilient Distribution Systems With Reconfigurable Cyber-Physical Networks

Modern distribution systems energized by inverter-interfaced distributed generators (DGs) operate as coupled cyber-physical networks (C/P-networks), where the controllable components in the physical network (P-network) are coordinated through the cyber network (C-network). The concept of dynamic microgrids (MGs) operation has been adopted to enable distribution system autonomous operation with varying electric boundaries. To further enhance system operation resiliency and flexibility, dynamic MGs operation with reconfigurable C/P-networks is discussed in this work. An evaluation framework is proposed to assess the operational feasibility of distribution feeders with multiple inverter-based dynamic MGs and come out with possible restoration solutions in the context of cross-layer C/P-network reconfiguration. Furthermore, distributed controllers are developed for components with different operating characteristics to realize seamless system topology variations and provide coordinated secondary regulation in various operation modes. Furthermore, the proposed evaluation framework along with the developed distributed controller has been validated using a Hardware-in-the-Loop (HIL) real-time CPS testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗