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At least 109 records · Page 6

Advancing quantum simulations of the nuclear shell model with Gray-code–based resource-efficient protocols

Background: Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei are one such case with high demand for resources, as the size of the Hilbert space grows exponentially with the number of particles involved. Quantum algorithms are being developed to overcome these challenges and advance such calculations. Purpose: To develop quantum circuits for the nuclear shell-model, leveraging the capabilities of noisy intermediate-scale quantum (NISQ) devices. Here, we aim to minimize resource requirements (specifically in terms of qubits and gates) and strive to reduce the impact of noise by employing relevant mitigation techniques. Methods: We achieve noise resilience by designing an optimized Ansatz for the variational quantum eigensolver (VQE) based on Givens rotations and incorporating qubit-ADAPT-VQE in combination with variational quantum deflation (VQD) to compute ground and excited states, incorporating the zero-noise extrapolation mitigation technique. Furthermore, the qubit requirements are significantly reduced by mapping the basis states to qubits using Gray-code encoding and generalizing transformations of fermionic operators to efficiently represent many-body states. Results: By employing the resource-efficient protocols, we achieve the ground and excited state energy levels of 38 Ar and 6 Li with better accuracy. These energy levels are presented for noiseless simulations, noisy conditions, and after applying noise mitigation techniques. Results are compared for Jordan-Wigner and Gray-code encoding using VQE, qubit-ADAPT-VQE, and VQD. Conclusions: Our work highlights the potential of resource-efficient protocols to leverage the full potential of NISQ devices in scaling the nuclear shell model calculations, offering a pathway toward more complex quantum simulations in nuclear physics. This approach establishes a framework for studying other nuclear systems with improved quantum resource efficiency, marking a significant advancement in applying quantum computing to realistic nuclear physics applications.

Physics - Nuclear physics and radiation physics↗

Optimal Protocols in Quantum Annealing and Quantum Approximate Optimization Algorithm Problems

Quantum annealing (QA) and the quantum approximate optimization algorithm (QAOA) are two special cases of the following control problem: apply a combination of two Hamiltonians to minimize the energy of a quantum state. Which is more effective has remained unclear. Here we analytically apply the framework of optimal control theory to show that generically, given a fixed amount of time, the optimal procedure has the pulsed (or “bang-bang”) structure of QAOA at the beginning and end but can have a smooth annealing structure in between. This is in contrast to previous works which have suggested that bang-bang (i.e., QAOA) protocols are ideal. To support this theoretical work, we carry out simulations of various transverse field Ising models, demonstrating that bang-anneal-bang protocols are more common. Futher, the general features identified here provide guideposts for the nascent experimental implementations of quantum optimization algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accurate Efficiency Measurements for Emerging PV: A Comparison of NREL's Steady-State Performance Calibration Protocol Between Conventional and Emerging PV Technologies

Emerging PV technologies (e.g. Perovskite, and Quantum Dot) are commonly known to possess challenges for accurate performance measurement under the existing IEC 60904 series of standards, which were developed for conventional Si solar cells. Potential performance artifacts depending on scan rates and directions and light bias exposure history are often seen in those emerging solar cells. To avoid these artifacts and provide an unbiased and reliable efficiency measurement, NREL's Cell and Module Performance (CMP) Group has developed a steady-state performance calibration protocol - the asymptotic P MAX method. In this paper, we applied this procedure to four PV cell technologies, Si, CIGS, perovskite, and Quantum Dot (QD), and compared their performance variations between the transient and the steady-state conditions. By comparison, we found that the performance parameters ( i.e. V OC , I SC , FF, ..eta..) measured between fast I-V scans (and the asymptotic method (steady-state) change significantly for perovskite and QD cells. These changes do not happen for Si and CIGS cells. Furthermore, the statistical performance analysis on nearly 100 emerging cells received globally (including OPV, Perovskite, and QD) shows that over 70 % of the fast I-V scans have a relative performance deviation larger than 1% compared to those determined using the asymptotic P MAX scan. Given the complex dynamic behavior observed in emerging PV devices, the CMP group at NREL thus only certifies their steady steady-state performance using the Asymptotic P MAX method. We highly recommend similar steady-state performance calibration protocol for all researchers in emerging PV because accuracy in reported efficiencies is critical to the long-term success of those promising new PV technologies.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Towards Validation of Advanced Accelerated Stress Testing Protocols through Failure Analysis and Materials Characterization

As the lifetime of photovoltaic modules increases toward the goal of 50 years, accelerated stress testing is critical to assessing the viability of newer, improved, and often cheaper materials in the field. However, the validation of accelerated testing to reproduce field failure has remained elusive. The recent developments of more advanced stress testing protocols utilizing sequential and combined stressors have provided another opportunity for validation. Using a suite of mechanical, chemical, and structural characterization methods we report the development of our approach using a known bad backsheet “AAA.” We then apply this approach to PVDF-based backsheets to further confirm the generalizability of this approach. The outcome of this work is two-fold: (1) validation of advanced accelerated testing protocols which will enable the prediction of field failures in new materials, and (2) deeper insights into the degradation mechanisms observed through the extensive characterization allowing for improved materials engineering and development.

accelerated aging↗

A Large-Scale Analysis to Optimize the Control and V2V Communication Protocols for CDA Agreement-Seeking Cooperation

Cooperative driving automation (CDA) Class C, agreement-seeking cooperation, is an innovative and practical solution that can promote cooperation among general passenger vehicles on the road. However, more comprehensive studies are needed before establishing the standard protocols of agreement-seeking cooperation, such as communication frequency and the duration of cooperation. Here, this article presents an initiative study on the impacts of communication capabilities on agreement-seeking cooperation. Through a large-scale analysis by regulating vehicle-to-vehicle (V2V) communication metrics, this work suggests desirable system parameters that can maximize the benefits of cooperation and ensure reliable operability while avoiding exhaustive communication loads. As the first step, an example agreement-seeking cooperation system is created for a car-following scenario, including decision-making and control algorithms for autonomous vehicles. Then, software-in-the-loop tests explore the performance of the developed system as it encounters various communication risks, such as latency and message packet drops. The system performance metrics are evaluated from various angles, including the time consumed for the agreement-seeking process, cooperation ratio, and the ratio of faulty cooperation. Energy saving from the cooperation is assessed by using simulation software that can run multiple high-fidelity vehicle models simultaneously. Based on the analyses, this article suggests the V2V communication requirements for the reliable operation of CDA agreement-seeking, which can be referred to when developing the standard protocols of agreement-seeking cooperation.

42 ENGINEERING↗

Designing, Constructing, and Operating an IPv6 Network at SC23: A case study in implementing the IPv6 protocol on a heterogenous network that supports the SC23 conference

IPv6 is the current version of IP, the protocol that is used to route traffic across internet connections. This standard was originally developed as a new approach to mitigate concerns about address exhaustion and allow for near infinite scalability. While this protocol has gained significant support in mobile and broadband networks, as well as being the default for networks in emerging economies, it has yet to be fully adopted as a standard deployment model. Complications include legacy devices unable to support the proposed changes, as well as potential challenges that exist between devices that may not be able to fully implement current standards or configuration norms. The SCinet volunteers who deliver advanced networking to support the SC Conference set an ambitious goal of deploying an IPv6-only network at SC23. While the necessary technology is widely available and understood, the implications of deployment to support more than 15,000 users, each with multiple devices of different operating environments and ages, presents a unique technology and policy challenge. This paper will highlight the effort put into designing, implementing, and operating this innovative IPv6-only environment.

Robinson, Kate↗

Access Capabilities Through Ccs Communications Protocol (acccs)

AcCCS is a collection of scripts that leverage open-source code, off-the-shelf hardware, and published protocol specifications to create a flexible and inexpensive test and evaluation device for the Electric Vehicle industry. AcCCS is capable of emulating either an Electric Vehicle (EV) or Electric Vehicle Supply Equipment (EVSE). It provides a flexible set of Python scripts to test and evaluate the various communication protocols between the Electric Vehicle Communication Controller (EVCC) and Supply Equipment Communication Controller (SECC). This capability is useful for cybersecurity researchers, automotive OEMs, and EVSE manufactures.

Rohde, KennethW [Idaho National Laboratory (INL), ↗

EnergyPlus Model Context Protocol Server (EnergyPlus-MCP) v0.1

EnergyPlus-MCP is the first open-source Model Context Protocol server specifically designed for EnergyPlus building energy simulation. This innovative software enables AI assistants and other applications to interact programmatically with EnergyPlus through a standardized, secure interface, eliminating traditional technical barriers in building energy modeling. The software provides specialized tools across five functional domains: server management, model configuration and loading, comprehensive building component inspection, systematic model modification, and simulation execution with results visualization. Key features include automated HVAC system discovery and topology mapping, advanced schedule analysis, intelligent model validation, and interactive visualization capabilities. EnergyPlus-MCP's layered architecture ensures robust separation between protocol communication and domain expertise, enabling scalable deployment across organizations, educational institutions, and research teams. Unlike direct LLM approaches that suffer from inconsistent results and security gaps, EnergyPlus-MCP provides validated, reliable interactions while maintaining scientific rigor. This democratizes sophisticated building energy analysis, making EnergyPlus accessible to broader audiences through conversational interfaces and streamlined workflows.

Li, Han [Lawrence Berkeley National Laboratory (LB↗

Xanthohumol microbiome and signature in adults with Crohn’s disease (the XMaS trial): a protocol for a phase II triple-masked, placebo-controlled clinical trial

Xanthohumol (XN), a bioactive flavonoid from Humulus lupulus with anti-inflammatory properties, has potential benefits for patients with Crohn’s disease (CD), a type of inflammatory bowel disease. We recently completed and published results of a placebo-controlled phase I clinical trial demonstrating the safety and tolerability of 24 mg XN daily for 8 weeks. The present study aims to evaluate the safety and tolerability of the same dose of XN adults with clinically active CD in a placebo-controlled phase II clinical trial. Additional aims will assess the impact of XN on inflammatory biomarkers, platelet function, CD clinical activity, and stool microbial composition. The metabolism of XN will also be evaluated. This article provides a model protocol for consideration in investigations of XN or other natural products in disease states. A triple-masked, randomized, placebo-controlled trial will be conducted in adults with clinically active CD. Participants (n ≤ 32) will be randomized to either 24 mg encapsulated XN per day or placebo and followed for 8 weeks. Throughout the trial, participants will be queried for adverse events. Biomarkers of clinical safety, blood and stool markers of inflammation, platelet function, Crohn’s Disease Activity Index score, stool microbial composition, and XN metabolite profiles in blood, urine, and stool will be assessed every 2 weeks. We describe the protocol for a phase II clinical trial that evaluates the safety and tolerability of XN in adults with active CD, as well as evaluate metabolism and mechanisms that are relevant to CD and other diseases with underlying inflammation and/or gut permeability. The effects of XN on inflammatory biomarkers, platelet function, the microbiota, and multi-omics biomarkers measured in this phase II trial of adults with CD will be compared to the effects of XN in healthy adults in our previous phase I trial. The results of the study will advance the evidence guiding the use of XN in patients with CD.

60 APPLIED LIFE SCIENCES↗

Evaluation of DNA extraction protocols from liquid-based cytology specimens for studying cervical microbiota

Cervical microbiota (CM) are considered an important factor affecting the progression of cervical intraepithelial neoplasia (CIN) and are implicated in the persistence of human papillomavirus (HPV). Collection of liquid-based cytology (LBC) samples is routine for cervical cancer screening and HPV genotyping and can be used for long-term cytological biobanking. We sought to determine whether it is possible to access microbial DNA from LBC specimens, and compared the performance of four different extraction protocols: (ZymoBIOMICS DNA Miniprep Kit; QIAamp PowerFecal Pro DNA Kit; QIAamp DNA Mini Kit; and IndiSpin Pathogen Kit) and their ability to capture the diversity of CM from LBC specimens. LBC specimens from 20 patients (stored for 716 ± 105 days) with CIN values of 2 or 3 were each aliquoted for each of the four kits. Loss of microbial diversity due to long-term LBC storage could not be assessed due to lack of fresh LBC samples. Comparisons with other types of cervical sampling were not performed. We observed that all DNA extraction kits provided equivalent accessibility to the cervical microbial DNA within stored LBC samples. Approximately 80% microbial genera were shared among all DNA extraction protocols. Potential kit contaminants were observed as well. Variation between individuals was a significantly greater influence on the observed microbial composition than was the method of DNA extraction. We also observed that HPV16 was significantly associated with community types that were not dominated by Lactobacillus iners.

59 BASIC BIOLOGICAL SCIENCES↗

2024 Water Splitting Technologies Benchmarking and Protocols Workshop

The sixth annual Advanced Water Splitting Pathways Benchmarking meeting was held on June 11-12, 2024 at the Arizona State University California Center- Los Angeles, CA. A total of 117 people participated (102 in person and 15 via Zoom). Attendance at most breakout sessions ranged from 10 - 25 attendees. The focus of many of the sessions was on developing plans to validate protocols written to date, defining future protocols to be written and aligning with international efforts. The plenary session provided perspectives on international activities in each technology area, as well as an overview of the ARCHES Hydrogen Hub.

08 HYDROGEN↗

Commercial Building Energy Code Field Study: Data Collection Methodology and Protocol

In support of the U.S. Department of Energy’s Commercial Buildings Energy Code Field Study, this data collection methodology and protocol provides guidance on all aspects of undertaking a compliance study, from development of a sampling plan to recruitment to code requirements and compliance checks for each energy code measure specified to be collected. The protocol also includes a data collection form that captures all key information needed for analysis of commercial energy code compliance. This methodology was developed by the Institute for Market Transformation in coordination with Pacific Northwest National Laboratory (PNNL) and the U.S. Department of Energy Building Energy Codes Program with the objective of assisting states, jurisdictions, utilities and others as they seek to measure and demonstrate compliance rates with energy codes in commercial buildings, as well as to target areas for improvement through increased energy code compliance and broader energy-efficiency programs. It is also intended to facilitate a consistent and replicable approach to research studies of this type and establish a transparent data set representing baseline construction practices across the U.S.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Commercial Building Energy Code Field Study: Data Collection Methodology and Protocol

In support of the U.S. Department of Energy’s Commercial Buildings Energy Code Field Study, this data collection methodology and protocol provides guidance on all aspects of undertaking a compliance study, from development of a sampling plan to recruitment to code requirements and compliance checks for each energy code measure specified to be collected. The protocol also includes a data collection form that captures all key information needed for analysis of commercial energy code compliance. This methodology was developed by the Institute for Market Transformation in coordination with Pacific Northwest National Laboratory (PNNL) and the U.S. Department of Energy Building Energy Codes Program with the objective of assisting states, jurisdictions, utilities and others as they seek to measure and demonstrate compliance rates with energy codes in commercial buildings, as well as to target areas for improvement through increased energy code compliance and broader energy-efficiency programs. It is also intended to facilitate a consistent and replicable approach to research studies of this type and establish a transparent data set representing baseline construction practices across the U.S.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Use of Legacy Maritime Protocols Increases Exploitability of Virtual Aids to Navigation

With increased reliance on Virtual Aid(s) to Navigation (VAtoN) - also known as electronic Aid(s) to Navigation (eAtoN), or virtual buoys - a cyber event is likely to cause disruption to international maritime shipping. VAtoN has no physical hardware for visual reference and displays only on a vessel’s Electronic Chart Display Information System (ECDIS) and Automatic Radar Plotting Aid (ARPA); therefore, mariners must rely on the accuracy of the information provided. As VAtoN uses the National Maritime Electronics Association (NMEA) 0183 protocol for both Global Navigation Satellite System (GNSS) and Automatic Identification System (AIS), an insecure protocol that has been proven susceptible to spoofing, denial, and manipulation, the likelihood of a cyber-related event increases substantially.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

CAST Technical Bulletin #004: Network Time Protocol Introduction

Network Time Protocol (NTP), as it traditionally generated and widely consumed, is a legacy system with known security vulnerabilities. The vulnerabilities can be mitigated by modern implementations of NTP that use internal and external redundancy for better accuracy and fault tolerance. Precision Time Protocol (PTP) is an alternative that uses master clocks inside secure networks to eliminate the known vulnerabilities of NTP.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Randomized measurement protocols for lattice gauge theories

Randomized measurement protocols, including classical shadows, entanglement tomography, and randomized benchmarking are powerful techniques to estimate observables, perform state tomography, or extract the entanglement properties of quantum states. While unraveling the intricate structure of quantum states is generally difficult and resource-intensive, quantum systems in nature are often tightly constrained by symmetries. Furthermore, this can be leveraged by the symmetry-conscious randomized measurement schemes we propose, yielding clear advantages over symmetry-blind randomization such as reducing measurement costs, enabling symmetry-based error mitigation in experiments, allowing differentiated measurement of (lattice) gauge theory entanglement structure, and, potentially, the verification of topologically ordered states in existing and near-term experiments. Crucially, unlike symmetry-blind randomized measurement protocols, these latter tasks can be performed without relearning symmetries via full reconstruction of the density matrix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Scalable, ab initio protocol for quantum simulating SU($N$)×U(1) Lattice Gauge Theories

We propose a protocol for the scalable quantum simulation of SU(N)×U(1) lattice gauge theories with alkaline-earth like atoms in optical lattices in both one- and two-dimensional systems. The protocol exploits the combination of naturally occurring SU(N) pseudo-spin symmetry and strong inter-orbital interactions that is unique to such atomic species. A detailed ab initio study of the microscopic dynamics shows how gauge invariance emerges in an accessible parameter regime, and allows us to identify the main challenges in the simulation of such theories. We provide quantitative results about the requirements in terms of experimental stability in relation to observing gauge invariant dynamics, a key element for a deeper analysis on the functioning of such class of theories in both quantum simulators and computers.

Physics↗

A versatile enhanced freeze-substitution protocol for volume electron microscopy

Volume electron microscopy, a powerful approach to generate large three-dimensional cell and tissue volumes at electron microscopy resolutions, is rapidly becoming a routine tool for understanding fundamental and applied biological questions. One of the enabling factors for its adoption has been the development of conventional fixation protocols with improved heavy metal staining. However, freeze-substitution with organic solvent-based fixation and staining has not realized the same level of benefit. Here, we report a straightforward approach including osmium tetroxide, acetone and up to 3% water substitution fluid (compatible with traditional or fast freeze-substitution protocols), warm-up and transition from organic solvent to aqueous 2% osmium tetroxide. Once fully hydrated, samples were processed in aqueous based potassium ferrocyanide, thiocarbohydrazide, osmium tetroxide, uranyl acetate and lead acetate before resin infiltration and polymerization. We observed a consistent and substantial increase in heavy metal staining across diverse and difficult-to-fix test organisms and tissue types, including plant tissues ( Hordeum vulgare ), nematode ( Caenorhabditis elegans ) and yeast ( Saccharomyces cerevisiae ). Our approach opens new possibilities to combine the benefits of cryo-preservation with enhanced contrast for volume electron microscopy in diverse organisms.

59 BASIC BIOLOGICAL SCIENCES↗