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DOE OSTI2023

University Coalition for Fossil Fuel Energy Research

Following a nationwide open competition, the University Coalition for Fossil Energy Research (UCFER) was established in October 2015 through a cooperative agreement between Penn State and the Department of Energy (DOE) National Energy Technology Laboratory (NETL). Penn State lead UCFER with the objective of advancing basic and applied research for clean and low-carbon energy based on fossil fuels in support of the DOE’s mission. UCFER focused on research that improves the efficiency of production and use of fossil energy resources, while minimizing the environmental impacts and reducing greenhouse gas emissions. Penn State lead a team of nine universities (Massachusetts Institute of Technology, The Pennsylvania State University, Princeton University, Texas A&M University, University of Kentucky, University of Southern California, The University of Tulsa, University of Wyoming, and Virginia Polytechnic and State University) during the competition stage, adding seven more universities in 2017 (Carnegie Mellon University, Louisiana State University, The Ohio State University, University of North Dakota, University of Pittsburgh, University of Utah, and West Virginia University). This Coalition exhibited a wide geographical distribution across the U.S. bringing a wide variety of fossil energy expertise. This national university alliance was a major collaborative effort with NETL to address specific topics of R&D in NETL’s mission area, which involved one or more of NETL’s five core competencies (Geologic and Environmental Systems, Materials Engineering and Manufacturing, Energy Conversion Engineering, Systems Engineering and Analysis, and Computational Science and Engineering). The first five to six months of the project was the definitization stage. During this period, Penn State worked closely with NETL to finalize the Coalition organizational structure and By- Laws, prepare a statement of substantial involvement and a statement of project objectives, and develop operations and membership plans. A major component of this stage included preparing an execution plan to solicit research, evaluate proposals, recommend selected projects to NETL, and award projects. In addition, a plan was prepared to monitor projects, review projects, disseminate knowledge from research projects and develop an online system for Coalition research portfolio management. This included developing a website and several databases. The first of six rounds of solicitations started in mid-2016. Projects from the sixth solicitation started February 1, 2021, and ended January 31, 2023. Projects that were selected represented twelve technology lines. Approximately $16.6 million in funding was available for the six solicitations. Most of the funding was provided by DOE, Office of Fossil Energy (DOEFE) with the DOE Fuel Cells Technologies Office (DOE-FCTO) providing funding for a few projects. Coalition universities submitted 259 proposals in response to the solicitations, requesting approximately $67.0 million in funding, and forty-three projects were selected. However, one project withdrew after the principal investigator left the university. The management of the Coalition projects was a major activity by Penn State. Managing the Coalition projects consisted of monitoring the projects, reviewing the projects through annual technical review meetings, disseminating knowledge from the research projects, and developing an online system for Coalition research portfolio management. Penn State’s OMT monitored projects to ensure that all milestones (technical, schedule, budget) were met, expenditures were allowable, cost share (when applicable) were reported, and all technical reports were submitted. The OMT also posted the technical reports electronically on a secure members-only website for access and review by the Coalition members. Disseminating knowledge from the research projects was done through a website, newsletters, various meetings, conferences, journal articles, publicity/press releases, and project summaries that were prepared after each project was completed. Penn State kept NETL apprised of UCFER progress through quarterly reports (thirtyone were submitted by Penn State), verbal and written communications, yearly updates at the annual technical review meetings, and cost accrual reports. The UCFER project had a significant impacty. The UCFER program established the first national university alliance in fossil energy research with a major collaboration effort with DOE NETL that addressed specific topics in NETL’s research and development mission areas. It generated inter-university collaborations, which was another program interest. Twenty-two out of 259 proposals contained collaborations (≈8.5%) and three of forty-two funded projects involved inter-university collaborations (≈7.0%). The forty-two funded projects provided support at fourteen universities involving 269 personnel. Research was conducted by 106 faculty, 115 graduate and undergraduate students, forty-six research staff and post-doctoral scholars, and two visiting scholars. Students and post-doctoral scholars were also on-site at NETL through CRADAs. In addition, non-Coalition participants included six universities and sixteen companies and national laboratories. The non-Coalition participants were involved as subcontractors, providers of cost share, performed unpaid consultation and sample analysis, served as advisory board members, or were providers of samples and materials for testing. UCFER also produced visibility in that fifty-six refereed journal articles were published, fifty-seven conference papers and twenty-three posters were prepared, 190 presentations were given, eight patent applications were filed, two books/book chapters were written, and ten software codes were developed. Collaboration between NETL and the individual projects was a major requirement for all funded projects. This included NETL staff time to support collaboration, consultation, technical guidance, sample preparation and analysis, internships at NETL, on-site testing and equipment usage by Coalition participants at NETL, co-mentoring students, and coauthoring journal articles and conference papers. Collaboration was impacted by COVID-19 in that not all on-site activities could be performed. NETL personnel were coauthors on eight of the conference papers (fourteen percent of the conference papers that were prepared) and seventeen of the journal articles (thirty percent of the journal articles that were prepared). A website was developed for an online proposal solicitation and review process and to provide exposure to UCFER. A website analysis highlighted the large amount of member and general public interest in UCFER by interpreting access statistics from March 2016 through June 2023. Visitors to the site originated from many different organizations, businesses, and countries. The website provided a means to disseminate information to both the general public and the UCFER members and was successfully used for outreach activities. In addition, NETL required that RFP release, proposal submission, and proposal reviews all be performed online. Penn State successfully developed these capabilities in a secure section of the website, which were used throughout the UCFER project. It is recognized that each project had its technical successes. In addition, highlighted successes were compiled and summarized from the research projects. Information was requested from the PIs of completed projects. In addition, Penn State’s Operations Management Team reviewed subcontract reports to identify project successes. Examples of information requested from PIs included (not all-inclusive): new projects that have been funded as a result of UCFER funding; new commercial products; establishment of a new center; new patent; new software; best paper awards; highly-cited work; and graduate student successes. A total of forty-eight highlighted successes were reported.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Grid Architecture Mapping to Understand Transformation (GAMUT): Concept Definition

The electric power system is undergoing significant transformation driven by changes in the generation mix, increasing reliance on information and communication technologies, evolving customer expectations, and a dynamic cyber-physical environment. To address these challenges, substantial investments will be made over the next decade to create a flexible, affordable, secure, reliable, and resilient electric system. In response, the U.S. Department of Energy's Office of Electricity is developing knowledge management tools aimed at systematically documenting technology pilots and demonstration projects. This initiative seeks to improve understanding of operating contexts, planning steps, and integration requirements for innovative grid technologies. The Department of Energy project leverages Grid Architecture principles to collect and organize insights into the interdependencies, requirements, and capabilities of various grid solutions. By employing a systematic approach, the project aims to perform a feasibility study for the development of a software tool that will support stakeholders, including regulators, transmission and distribution system operators, distributed energy resources aggregators, and technology providers. By offering a systematic, software-based framework to document technologies, understand their benefits and impacts, and inform deployment strategies, the proposed Grid Architecture Mapping to Understand Transformation (GAMUT) Tool is intended to reduce costs, enhance decision-making, and facilitate scaling and effective deployment of new technologies. The feasibility study will evaluate the technical and financial viability of the GAMUT Tool, identifying stakeholder needs and assessing risks and mitigation strategies. Ultimately, the GAMUT team aims to develop an initial minimal viable product, followed by staged improvements, to aid in the modernization of the electric grid, contributing to a more sustainable and resilient energy future.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Analysis Description Languages for the LHC

An analysis description language is a domain specific language capable of describing the contents of an LHC analysis in a standard and unambiguous way, independent of any computing framework. It is designed for use by anyone with an interest in, and knowledge of, LHC physics, i.e., experimentalists, phenomenologists and other enthusiasts. Adopting analysis description languages would bring numerous benefits for the LHC experimental and phenomenological communities ranging from analysis preservation beyond the lifetimes of experiments or analysis software to facilitating the abstraction, design, visualization, validation, combination, reproduction, interpretation and overall communication of the analysis contents. Here, we introduce the analysis description language concept and summarize the current efforts ongoing to develop such languages and tools to use them in LHC analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Advancing Urban Water Resilience: Coproducing Knowledge through Civic–Academic Global Partnerships on Water and Climate

As extreme weather events become more pronounced, the vulnerabilities associated with the urban water supply and wastewater systems in megacities are intensified in multiple interconnected dimensions. These multifaceted water challenges can benefit from enhanced cross-sectoral collaboration and sharing of critical knowledge, which are essential for sustainable and adaptive water governance frameworks. In this context, the Megacity Alliance for Water and Climate (MAWAC)–Europe and North America Region (ENAR) Working Group convened a workshop in March 2023, followed by a subsequent workshop in London, United Kingdom, from 11 to 13 September 2024. These workshops aimed to investigate and devise solutions for the cascading hazards with water systems. The solutions examined various aspects focused on climate adaptation and mitigation, stormwater management, and the governance of water and wastewater systems. Additionally, discussions highlighted the importance of community engagement, economic considerations, equity, and effective communication in addressing these pressing challenges. Over the course of 3 days, experts from academia, government agencies, and industry engaged in meaningful discussions on digital modeling for integrated water management, climate-informed urban planning, and public–private–academic partnerships (Fig. 1). Case studies from cities such as New York, Los Angeles, London, Paris, and Chicago highlighted innovative governance strategies for managing water and wastewater systems, promoting water reuse, planning infrastructure, and fostering stakeholder-driven and stakeholder-informed adaptation. The workshop participants emphasized the need for data-driven decision-making, scalable governance models, and knowledge-sharing networks to enhance urban water governance for sustainability and resilience. This workshop report presents the key takeaways from the 3-day convening, providing a roadmap for integrating scientific research, policy frameworks, and emerging technologies to address water challenges faced by megacities.

Hydrologic models↗
DOE OSTI2019

Overview of the Systems Engineering Process as It Applies to The National Spherical Torus Experiment - Upgrade (NSTX-U)

This paper addresses the systems engineering (SE) processes used for the National Spherical Torus Experiment-Upgrade (NSTX-U). It focuses on SE across the life cycle of the system, including requirements management, interface control, risk management, integration, and verification/validation. This is particularly significant as NSTX-U includes new systems and an existing plant and reused systems from past projects such as the Tokamak Fusion Test Reactor (TFTR). The implementation of SE provides the ability to control complexity, improve communications, identify risks early, and prevent defects. Systems engineering principles are applied to enhance the integration while maintaining relevance in plasma research. Furthermore, these principles define a deliberate process to identify and resolve issues early in the development cycle, thus reducing risks and optimizing outputs. They also establish relationships to gather knowledge from experts and stakeholders, supporting the continued ability of NSTX-U in building and maintaining an operational system able to adapt to changing environments and emerging requirements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Dynamic and Responsive Distributed Energy Resource Education Solutions for Building, Fire, and Safety Department Officials (Final Technical Report)

From April 2021 through March 2024, the Interstate Renewable Energy Council (IREC) led a collaborative project to develop a free online clearinghouse of educational resources about solar photovoltaics (PV), energy storage systems (ESS), electric vehicle supply equipment (EVSE), and grid-interactive efficient building (GEB) technologies. Two websites—the Clean Energy Clearinghouse and CleanEnergyTraining.org—housed over 70 educational resources. Over the course of the three-year project, 154,272 unique visitors accessed the learning materials. Learner feedback was overwhelmingly positive. Even through the end of the project, there was sustained demand for education and communication. A primary innovation of the project was to drive multiple complementary audiences to the same place. Building owners, designers, installation contractors and developers, authorities having jurisdiction (AHJs), and fire service personnel all benefit from a shared understanding of clean energy technologies, including safety and code-related requirements. When considering the impact on the target audience, the project team worked with partners and advisors to inform resource creation and delivery in such a way as to address key motivational factors of the target audience and compel each user to seek additional information on the topic and return to the Clean Energy Clearinghouse website as their central location for more information. Resources were intentionally developed to be concise—five to 15 minutes—and accessible, meaning not overly technical. Providing basic information demystified the technologies and invited the professional to explore additional learning opportunities. Awardee and partner collaboration was key to project success. IREC facilitated collaboration among the other Topic 2 awardees, Southface and New Buildings Institute (NBI). The three awardees shared relevant information gained through discovery and validation questionnaires that informed product development and reduced duplication of effort by coordinating the development of complementary, and not competing, educational resources. Inspired by this collaboration, IREC brought on additional partners even in the final year of the project. Five regional energy efficiency organizations were part of the project, which expanded the connection between efficiency and distributed energy resources. We also included resources on the Clearinghouse that were developed through other federally funded projects, such as the Buildings Energy Efficiency Frontiers & Innovation Technologies (BENEFIT) program. The website was developed with the learner in mind, and not solely the funding source. Feedback from stakeholders throughout the project, and especially in its final year, indicated the need for continued education and facilitated communication among stakeholders to further the safe and widespread adoption of clean energy.

14 SOLAR ENERGY↗
DOE OSTI2023

Characterization of Quantum Frequency Processors

Frequency-bin qubits possess unique synergies with wavelength-multiplexed lightwave communications, suggesting valuable opportunities for quantum networking with the existing fiber-optic infrastructure. Although the coherent manipulation of frequency-bin states requires highly controllable multi-spectral-mode interference, the quantum frequency processor (QFP) provides a scalable path for gate synthesis leveraging standard telecom components. Here, we summarize the state of the art in experimental QFP characterization. Distinguishing between physically motivated “open box” approaches that treat the QFP as a multiport interferometer, and “black box” approaches that view the QFP as a general quantum operation, we highlight the assumptions and results of multiple techniques, including quantum process tomography of a tunable beamsplitter—to our knowledge the first full process tomography of any frequency-bin operation. Our findings should inform future characterization efforts as the QFP increasingly moves beyond proof-of-principle tabletop demonstrations toward integrated devices and deployed quantum networking experiments.

42 ENGINEERING↗
DOE OSTI2026

Roadmap to Advance Heliostat Technologies for High Temperature Solar-Thermal Systems

Since its establishment, the Heliostat Consortium (HelioCon) has made substantial progress toward closing many of the gaps in concentrating solar power (CSP) research. Numerous techno-economic studies have been performed, investigating topics ranging from the trade-off between size and temperature for industrial process heat applications to optimization of the heliostat design itself for various applications. Significant improvements have been made in optical metrology techniques, with first steps toward in situ measurement of heliostat fields. Several standards have been, and continue to be, developed with the coordination of an international group of CSP industry participants. Training programs have been developed, with universities including CSP in their engineering curricula, and many public webinars have been held to provide broad access to the latest CSP research. Improved CSP components such as mirror facets and wireless communication systems have been developed, and the solar tower at Sandia National Laboratories has been upgraded with a testbed for closed-loop controls research and development. Field deployment challenges involving heliostat foundations and sensitive wildlife habitats have been explored, with progress made toward methods for streamlining project development and permitting. Additional knowledge has been added to the body of work on wind behavior of heliostats and arrays of heliostats, with progress made toward a holistic understanding of wind design methods. Finally, techniques have been developed and demonstrated for assessing soiling conditions at a proposed project site, with predictive models for the soiling rate showing good results. Taking these results together, HelioCon has contributed greatly to the global CSP research and development effort over the past several years.

14 SOLAR ENERGY↗
DOE OSTI2022

Toward More Actionable Flood‐Risk Information

Abstract The increasingly urgent need to develop knowledge and practices to manage flood risks drives innovative information design. However, experts often disagree about design practices. As a result, flood‐risk estimates can diverge, leading to different conclusions for decision‐making. Using examples of household‐scale fluvial (riverine) flood‐risk information in the United States, we assess design features and risk communication approaches that may lead to more actionable information for decision‐making. We argue that increased attention to uncertainty characterization and model diagnostics is a critical intermediate step for developing simpler approaches for designing flood‐risk information. Simpler frameworks are desirable because flood risks change over time, and simpler frameworks are less costly to update. Developing frameworks for large spatial domains require collaboration grounded in principles of open science. Finally, systematically evaluating how decision‐makers access and use information can provide new insights to guide risk communication and information design.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Innovative Energy Management Strategies and Solutions—What We Have Learned from Leaders

The main objective of this paper is to share and replicate innovative energy management practices and energy efficiency technology solutions that the US Department of Energy (DOE) learned from its industrial partners through the Better Plants Program. The DOE Better Plants program provides partners with technical support, recognition opportunities, and networking platforms. It offers multiple awards and events to recognize partners for outstanding accomplishments in industrial energy and water efficiency. The Better Project and Better Practice awards recognize partners for innovative and replicable energy efficiency projects and energy management practices that address one or more prevailing industrial energy efficiency challenges.This paper summarizes the knowledge and lessons learned through award-winning projects and practices in 2017 and 2018. It provides information on the innovation, barriers overcome, magnitude of impact, project implementation strategy, and replicability. Details are presented for five case studies: Saint-Gobain’s wireless sub-metering, Quad Graphics’ baseload reduction, 3M’s annual energy communication plan, TE Connectivity’s center of excellence, and ArcelorMittal’s energy management toolbox.

Wenning, Thomas↗
DOE OSTI2023

Privacy-Preserving Robust Consensus for Distributed Microgrid Control Applications

Consensus-based distributed control has been proposed for coordinating distributed energy resources (DERs) in microgrids (MGs). As one key component, distributed average observers are used to estimate the average of a group of reference signals (e.g., voltage, current, or power). State-of-the-art distributed average observers could lead to loss of privacy due to information exchange on the communication channels. The DERs' reference signals, which contain private information, could be inferred by an eavesdropper. In this article, a privacy-preserving distributed average observer is proposed that is based on robust consensus and uses the state decomposition method to preserve privacy. Compared to the existing methods, the proposed observer does not require the knowledge of the reference signal's derivative and gives accurate and smooth estimation, and is thus applicable for MG distributed control applications. A detailed analysis regarding the convergence and privacy properties of the proposed observer is presented. Here, the proposed observer is implemented on hardware controllers and validated in the context of distributed MG control applications through hardware-in-the-loop (HIL) tests.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Network Security Challenges and Countermeasures for Software-Defined Smart Grids: A Survey

The rise of grid modernization has been prompted by the escalating demand for power, the deteriorating state of infrastructure, and the growing concern regarding the reliability of electric utilities. The smart grid encompasses recent advancements in electronics, technology, telecommunications, and computer capabilities. Smart grid telecommunication frameworks provide bidirectional communication to facilitate grid operations. Software-defined networking (SDN) is a proposed approach for monitoring and regulating telecommunication networks, which allows for enhanced visibility, control, and security in smart grid systems. Nevertheless, the integration of telecommunications infrastructure exposes smart grid networks to potential cyberattacks. Unauthorized individuals may exploit unauthorized access to intercept communications, introduce fabricated data into system measurements, overwhelm communication channels with false data packets, or attack centralized controllers to disable network control. An ongoing, thorough examination of cyber attacks and protection strategies for smart grid networks is essential due to the ever-changing nature of these threats. Previous surveys on smart grid security lack modern methodologies and, to the best of our knowledge, most, if not all, focus on only one sort of attack or protection. This survey examines the most recent security techniques, simultaneous multi-pronged cyber attacks, and defense utilities in order to address the challenges of future SDN smart grid research. The objective is to identify future research requirements, describe the existing security challenges, and highlight emerging threats and their potential impact on the deployment of software-defined smart grid (SD-SG).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Enabling DER Participation in Frequency Regulation Markets

Distributed energy resources (DERs) are playing an increasing role in ancillary services for the bulk grid, particularly in frequency regulation. In this article, we propose a framework for collections of DERs, combined to form microgrids and controlled by aggregators, to participate in frequency regulation markets. Our approach covers both the identification of bids for the market clearing stage and the mechanisms for the real-time allocation of the regulation signal. The proposed framework is hierarchical, consisting of a top layer and a bottom layer. The top layer consists of the aggregators communicating in a distributed fashion to optimally disaggregate the regulation signal requested by the system operator. The bottom layer consists of the DERs inside each microgrid whose power levels are adjusted so that the tie line power matches the output of the corresponding aggregator in the top layer. The coordination at the top layer requires the knowledge of cost functions, ramp rates, and capacity bounds of the aggregators. We develop meaningful abstractions for these quantities respecting the power flow constraints and taking into account the load uncertainties and propose a provably correct distributed algorithm for optimal disaggregation of regulation signals among the microgrids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

HIDES: Hybrid Intrusion Detector for Energy Systems

The establishment of a resilient electric grid accompanied by a secure communications network is an ongoing battle as advanced persistent threats continue to exploit existing vulnerabilities in legacy supervisory control and data acquisition system (SCADA) infrastructure. Traditional intrusion detection systems (IDSs) lack consistent performance because of the continuously evolving attack surface of SCADA systems. These shortcomings can be overcome by integrating logical system behavior, protocol-specific knowledge, and data-based learning to develop a comprehensive IDS solution. In this paper, we present a Hybrid Intrusion Detector for Energy Systems by integrating a network-based IDS, state-of-the-art machine learning-based IDS, and model-based IDS to detect unknown and stealthy cyberattacks targeting the SCADA networks. The proposed IDS uses synchrophasor measurements and cyber logs to learn patterns of different scenarios based on spatiotemporal behaviors of power systems. As a proof of concept, we implement and validate the proposed IDS by leveraging resources available at the National Renewable Energy Laboratory's Energy Systems Integration Facility test bed. Experimental results show promising performance in detecting cyberattacks while providing realtime visualization of power system measurements and cyber logs.

machine-learning intrusion detection system↗
DOE OSTI2021

The Role of Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology: Proceedings of a Workshop

Quantum concepts hold the potential to enable significant advances in sensing and imaging technologies that could be vital to the study of biological systems. The workshop Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology, held online March 8–10, 2021, was organized to examine the research and development needs to advance biological applications of quantum technology. Hosted by the National Academies of Sciences, Engineering, and Medicine, the event brought together experts working on state-of-the-art, quantum-enabled technologies and scientists who are interested in applying these technologies to biological systems. Through talks, panels, and discussions, the workshop facilitated a better understanding of the current and future biological applications of quantum-enabled technologies in fields such as microbiology, molecular biology, cell biology, plant science, mycology, and many others. The workshop was organized around three main themes. The first, quantum in biology, examined quantum concepts that are hypothesized to be important for life processes and that researchers are working to observe through biological imaging and sensing. The second, quantum for biology, addressed ways to use quantum concepts to enhance technologies for biological imaging and sensing. The third, biology for quantum, offered a wider discussion of how the frontiers of biological imaging and sensing could enable future study using quantum concepts, tools, or technologies. Throughout the workshop, participants identified a wide range of emerging approaches and opportunities at the intersection of quantum physics and biological sensing and imaging. During the workshop, there were some differences in how each speaker defined the term quantum. During one of the panels, Prem Kumar offered thoughts on what phenomena are classical versus quantum, explaining that techniques get progressively more quantum as you move from just having superposition to having superposition with measurement and entanglement. Another explanation from Clarice Aiello delineates the definition into several levels. This includes a base level of “quantum-ness,” which reflects that all matter is made of atoms, and when these particles are isolated they behave based on quantum mechanical principles. A second level is related to quantum coherence, where a single quantum object might be found in a coherent superposition state. A final level, which she described as the quantum-entangled level, involves multiple quantum systems which are entangled among themselves. Overall, the workshop touched on concepts such as superposition, entanglement, and squeezing and their potential implications for communication, computing, and simulation, in addition to the workshop’s main focal area, biological sensing and imaging. At the opening of the workshop, Thorsten Ritz of the University of California, Irvine, identified two questions at the heart of quantum biology: Is the machinery of life quantum mechanical, and can quantum mechanics be used to study the machinery of life in new ways? Participants highlighted systems in which researchers have explored these questions, from the vast array of molecular interactions involved in biological processes such as photosynthesis, to the mechanics involved in cellular functions such as differentiation and aggregation, to the role of oscillating magnetic fields in flight orientation among birds. Sensing and imaging technologies are crucial to biological research; these technologies could both enhance the study of quantum effects and be enhanced by quantum concepts. A critical challenge in biological research is to develop imaging and sensing tools that do not damage or interfere with the often fragile and fleeting systems being studied. Attendees discussed a variety of established and emerging technologies that could enhance noninvasive biological imaging, including single- and two-photon spectroscopy, single-molecule spectroscopy, quantum illumination, ghost imaging, and cryo-electron microscopy. One example came from Marlan Scully who gave a keynote address on the first day of the workshop. Scully emphasized the use of different laser technologies, which exhibit coherence and other quantum properties, in moving toward real-world biological applications, such as the detection of SARS-CoV-2. Both tools and theory will play an important role in advancing quantum biology research and applications. Several participants suggested theorists and experimentalists should work in tandem to understand and model biological processes. While physics often reduces systems to their simplest forms for fundamental insights, participants also noted the value of observing and understanding biological systems in all their “messiness,” capturing both the inner workings of biological systems and the complex interactions that occur within and between organisms. In discussions among participants, several attendees stressed the need to match emerging tools with the right scientific questions. Rather than developing quantum technologies as “a hammer looking for a nail,” participants emphasized a focus on exploring the problems these technologies are best suited to address. For example, it is important to consider the size of the phenomenon being studied, the timescales that are important in answering the scientific question, and other relevant considerations. Every tool along the spectrum from classical to quantum involves its own set of trade-offs. For example, Ted Laurence of the Lawrence Livermore National Laboratory said that quantum measurements, such as single photon counting, fluorescence transitions, and lasers, can take longer to produce the same results as classical measurements. These quantum measurements, however, do not require calibration and can enable new research questions to be answered. Prem Kumar, Northwestern University, noted that, despite their promise, quantum approaches should not be used simply for the sake of using quantum, especially in situations where classical approaches better meet the needs of the researcher. Understanding and applying quantum concepts could enable advances in a wide range of application areas including energy, synthetic biology, medicine, and sustainability. For example, Michelle O’Malley, University of California, Santa Barbara, described how improved noninvasive imaging approaches could help capture the complex interactions and functions involved in the breakdown of organic matter by microbial communities and lead to new technologies for capturing valuable products from plant waste. Several other participants discussed needs in tracking the movement of metabolites and molecules in microbial communities for insights into nutrient cycling in environments such as soil. Margaret Ahmad, Sorbonne University, discussed potential opportunities to leverage the magnetic properties of cryptochromes to advance new treatment approaches for diseases such as COVID-19 and cancer. Looking toward the future development of the field, participants discussed challenges to advancing quantum biology that arise from disciplinary disconnects between physicists and biologists. The siloing of academic research disciplines represents a significant barrier to progress. Disconnects in terminology, motivations and priorities, and structural barriers to collaborative work underscore the need for concerted efforts to bridge these divides. Attendees and speakers offered suggestions for resolving these divergences, establishing a shared language, moving the field forward, and fostering meaningful feedback between disciplines. Overall, participants stressed a need for balance, open communication, collaboration, unity, and clear dialogue on trade-offs between quantum and classical approaches. Keiko Torii, The University of Texas at Austin, said that the best collaborations happen when the project provides mutual advantages that can show off everyone’s talents, each team finds the work interesting, and partners develop a camaraderie to pursue new knowledge. To enable near- and long-term opportunities in this space, participants suggested that exploratory, high-risk funding could improve existing instrumentation to explore quantum enhancement collaboratively. They also emphasized the need for collaboration between quantum physicists and sensing/imaging scientists, which could be advanced through a dedicated quantum biology investigator program. People, even more than technology, will be crucial to the future of quantum biology. Participants explored training, education, and workforce needs to further develop this burgeoning field and cultivate the next generation of scientists. While many programs are still in their nascent stages, participants highlighted examples of approaches and programs being developed at various types of institutions to engage students and professional scientists in quantum biology research. Several participants stressed the need for an inclusive approach, spanning disciplines as well as communities to foster a diverse field fueled by the intellectual contributions of a wide range of people, including historically under-resourced schools and students. To increase awareness and excitement about quantum physics and related areas of biology, attendees suggested capitalizing on the “buzz” around quantum. Several participants emphasized the need to start early, introducing students to quantum concepts and their appealing “weirdness” in K–12 education. Engaging students early—before they become entrenched in traditional disciplinary siloes as typically happens in graduate school—could help to galvanize interest in the area and foster a generation of scientists with the interdisciplinary mindset and skills needed to advance this interdisciplinary field. While these efforts could be advanced at many levels and across multiple sectors, several participants suggested a national quantum biology center could be a valuable hub to coordinate and support quantum biology education and workforce development across academia, industry, and government.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Brief Overview of the NCSP [Slides]

The mission of the NCSP is to provide sustainable expert leadership, direction, and the technical infrastructure necessary to develop, maintain, and disseminate the essential technical tools, training, and data required to support safe, efficient fissionable material operations within the Department of Energy. The vision of the NCSP is a continually improving, adaptable, and transparent program that communicates and collaborates globally to incorporate technology, practices, and programs to be responsive to the essential technical needs of those responsible for developing, implementing, and maintaining nuclear criticality safety.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

ABSTRACT Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗