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DOE OSTI2016

Rolex: Resilience-oriented language extensions for extreme-scale systems

Future exascale high-performance computing (HPC) systems will be constructed from VLSI devices that will be less reliable than those used today, and faults will become the norm, not the exception. This will pose significant problems for system designers and programmers, who for half-a-century have enjoyed an execution model that assumed correct behavior by the underlying computing system. The mean time to failure (MTTF) of the system scales inversely to the number of components in the system and therefore faults and resultant system level failures will increase, as systems scale in terms of the number of processor cores and memory modules used. However every error detected need not cause catastrophic failure. Many HPC applications are inherently fault resilient. Yet it is the application programmers who have this knowledge but lack mechanisms to convey it to the system. In this paper, we present new Resilience Oriented Language Extensions (Rolex) which facilitate the incorporation of fault resilience as an intrinsic property of the application code. We describe the syntax and semantics of the language extensions as well as the implementation of the supporting compiler infrastructure and runtime system. Furthermore, our experiments show that an approach that leverages the programmer's insight to reason about the context and significance of faults to the application outcome significantly improves the probability that an application runs to a successful conclusion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

White paper: from bound states to the continuum

This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program 'From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory'. One of the biggest and most important frontiers in nuclear theory today is to construct better and stronger bridges between bound state calculations and calculations in the continuum, especially scattering and reaction theory, as well as teasing out the influence of the continuum on states near threshold. This is particularly challenging as many-body structure calculations typically use a bound state basis, while reaction calculations more commonly utilize few-body continuum approaches. Here, the many-body bound state and few-body continuum methods use different language and emphasize different properties. To build better foundations for these bridges, we present an overview of several bound state and continuum methods and, where possible, point to current and possible future connections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Open Building Control

Best practice control sequences are often not implemented correctly, or are not implemented at all, in large commercial buildings. This typically leads to 10-30 percent energy waste, along with reduced occupant productivity and unnecessary equipment wear. The current process of designing and implementing such control sequences is a manual process that starts with designers who often don’t have adequate training, then requires controls programmers to interpret and program a verbose written sequence. This process has been shown to fail to deliver high performance control sequences at scale. The Open Building Control project digitizes the current control delivery process. The project is developing tools for system designers to select control sequences, assess their energy performance and load flexibility potential using whole building simulation, specify the sequence for implementation using machine-to-machine translation by a control provider and formally testing the as-installed sequences by a commissioning agent. The project developed tools for each stage of this delivery process. The key innovation of the project is the development of the Control Description Language, a language that allows such a digitized control delivery process with end-to-end verification. Libraries of control sequences have been implemented using the Control Description Language, and their performance has been demonstrated using whole building energy simulation. An automated translation of such sequences to a commercial control product line has been conducted using a prototype translator. Tools for formal verification of as-installed control sequences relative to their specification have been developed and demonstrated. The American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) started the process of forming a committee to make this language an ASHRAE/ANSI Standard. This new standard will complement existing and emerging ASHRAE standards for building communication and semantic modeling by providing a standard for expressing the control logic - the actual brain of the building. We expect this language and the process it enables to be an important contribution to the deployment of high performance building control sequences at scale because it allows taming the complexity of the control delivery process, which is continually increasing due to the need for higher performance and increased load flexibility to meet goals for net zero energy and increased renewable integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Kokkos Programming Model and Library

High performance computing is in the midst of a many-core revolution driven by rapidly evolving microchips with diverse and heterogeneous architectures, increasing concurrency (thread count), and decreasing memory per thread. Our HPC applications face a major challenge to effectively use these microchips with a single code base that is performance portable across these evolving architectures. Kokkos was developed to enable on-chip concurrency and manage architecture-dependent constraints on memory access patterns. The goal is to maximize the amount of application code that is portable across diverse architectures and still obtain the same (or nearly) performance as a variant of that code written specifically for that architecture. The Kokkos team has ongoing R&D co-design collaborations with Sandia's and vendors' microchip and system engineers to rapidly incorporate evolving computer architecture features into Kokkos. The team is also providing leadership for DOE laboratories' participation on the ISO/C++ language standard committee to subsuming Kokkos features into a future standard.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Automatic Code Generation for High-Performance Graph Algorithms

Graph problems are common across fields of scientific computing and social sciences. However, despite their importance, implementing graph algorithms effectively on modern computing systems is a challenging task that requires significant programming effort and generally results in customized implementations. Current computing and memory hierarchies are not architected for irregular computations resulting in challenges for graph algorithms to achieve high performance on those architectures. In this paper, we present GraphX, a novel compiler framework and DSL designed to simplify the development of efficient graph algorithms and achieve high performance on modern computing systems. GraphX consists of a DSL for efficient implementation of graph algorithms, various optimizations, such as support for sparse linear algebra and workspace transformations, optimized graph primitives, including semiring and masking, and a high-performance code generation engine. Using GraphX, users can implement graph algorithms using a semantically-rich language with graph-oriented operators. GraphX uses these semantics to automatically generate efficient code for target architectures, increasing performance and portability across architectures. The composable nature of GraphX makes it possible to extend the set of optimizations and architectures without modifying the source code. We demonstrate GraphX outperforms state-of-the-art graph libraries, such as LAGraph, up to $3.7 speedup in semiring operations, $2.19 speedup in an important sparse computational kernel, and $9.05 speedup in graph processing algorithms.

compiler, graph algorithms, semiring, masking, wor↗

DOE OSTI2018

SLEEC: Semantics-Rich Libraries for Effective Exascale Computation. Final Technical Report

SLEEC (Semantics-rich Libraries for Effective Exascale Computation) was a project funded by the Department of Energy X-Stack Program, award number DE-SC0008629. The initial project period was September 2012–August 2015. The project was renewed for an additional year, expiring August 2016. Finally, the project received a no-cost extension, leading to a final expiry date of August 2017. Modern applications, especially those intended to run at exascale, are not written from scratch. Instead, they are built by stitching together various carefully-written, hand-tuned libraries. Correctly composing these libraries is difficult, but traditional compilers are unable to effectively analyze and transform across abstraction layers. Domain specific compilers integrate semantic knowledge into compilers, allowing them to transform applications that use particular domain-specific languages, or domain libraries. But they do not help when new domains are developed, or applications span multiple domains. SLEEC aims to fix these problems. To do so, we are building generic compiler and runtime infrastructures that are semantics-aware but not domain-specific. By performing optimizations related to the semantics of a domain library, the same infrastructure can be made generic and apply across multiple domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Technical Evaluation Report for the NDMAS AGR-5/6/7 TRISO Irradiation Monitoring System

The Nuclear Data Management and Analysis System (NDMAS) manages irradiation experiment data collected under the Advanced Gas Reactor (AGR) Fuel Development and Qualification program within the Advanced Reactor Technologies Technology Development Office. The AGR-5/6/7 irradiation experiment combines the fifth, sixth, and seventh planned irradiation campaigns of the U.S. Department of Energy AGR Fuel Development and Qualification Program. These combined irradiation tests will consist of fuel qualification tests (AGR-5/6) and a margin test (AGR-7) for the industrially produced uranium oxycarbide (UCO) tristructural isotropic (TRISO) coated particle fuel developed by the AGR program. The objective of the AGR-5/6/7 irradiation experiment is to establish the performance of UCO TRISO fuel fabricated using engineering-scale equipment in a production environment under and beyond normal operating conditions (PNL-5245). Experimental irradiation measurements for this experiment (i.e., thermocouple temperature, gas flow rate, fission product release rate, gross gamma count, and Advanced Test Reactor (ATR) operational parameters) are captured automatically to the NDMAS database. Data derived from numerical simulation or other mathematical analyses (i.e., fast fluence, burnup, temperature, and fission product release to birth ratio) are captured to the database when provided by the researchers. The NDMAS database is a relational database accessed via structured query language and managed with Microsoft SQL Server. While select users can directly access the database, that is not the most convenient way to interact with the data. The NDMAS team constructs numerous tables that combine related datasets, and delivers those data to researchers via graphs and spreadsheets on a Microsoft SharePoint-based website. For the AGR-5/6/7 experimental data, a new subsite has been developed, along with a set of web pages. These pages will be used by members of fuel irradiation team for monitoring irradiation conditions according to specification (SPC-1749), by the physics modelers to access necessary model inputs, and by the nuclear engineering community to view and access data such as fuel temperatures, fission product release from capsules, and ATR operational parameters. The deliverable represented in this document is a SharePoint website containing tables of the AGR-5/6/7 measured and calculated data, graphs displaying the data, and links to source documents and references.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

AGR-5/6/7 Irradiation Monitoring Web Site Design

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Aspen-based performance and energy modeling frameworks

Now with the anticipation of exascale architectures, energy consumption is becoming one of the critical design parameters, especially in light of the energy budget of 20-30 Megawatts set by the U.S. Department of Energy. Understanding an application’s execution pattern and its energy footprint is critical to improving application operation on a diverse heterogeneous architecture. Applying application-specific performance optimization can consequently improve energy consumption. However, this approach is only applicable to current systems. As we enter a new era of exascale architectures that is projected to contain more complex memory hierarchies, increased levels of parallelism, heterogeneity in hardware, and complex programming models and techniques, energy and performance management is getting more cumbersome. We therefore propose techniques that predict the energy consumption beforehand or at runtime to enable proactive tuning. Such energy prediction approaches must be generic and adapt themselves at runtime to changing application and hardware configurations. Most existing energy estimation and prediction approaches are empirical in nature and thus tied to current systems. To overcome this limitation, we propose two energy estimation techniques: ACEE (Algorithmic and Categorical Energy Estimation), which uses a combination of analytical and empirical modeling techniques; and AEEM (Aspen’s Embedded Energy Estimation), a system-level analytical energy estimation technique. Both of these models incorporate the Aspen domain specific language for performance modeling. We present the methodologies of these two models and test their accuracy using five proxy applications. We also describe three use cases.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

2018 Annual Site Environmental Report

Los Alamos National Laboratory’s (the Laboratory’s) annual site environmental reports are prepared annually by the Laboratory’s environmental organizations, as required by U.S. Department of Energy Order 231.1B, Administrative Change 1, Environment, Safety, and Health Reporting, and Order 458.1, Administrative Change 3, Radiation Protection of the Public and the Environment. The following chapters in this report discuss our success in complying with environmental laws, regulations, and orders (Chapter 2, Compliance Summary); how we manage the Laboratory’s environmental performance (Chapter 3, Environmental Programs); how we monitor for air emissions of radioactive materials and climate conditions (Chapter 4, Air Quality); how we monitor for effects of Laboratory operations on groundwater quality (Chapter 5, Groundwater Monitoring); how we monitor the movement of chemicals and radionuclides by storm water runoff and the levels of chemicals and radionuclides in deposited sediment (Chapter 6, Watershed Quality); how we monitor for the presence, levels, and effects of chemicals and radionuclides in plants, animals, soil, and vegetation (Chapter 7, Ecosystem Health); and finally, what radionuclide dose or risk from chemical exposure members of the public may experience as a result of Laboratory operations (Chapter 8, Public Dose and Risk Assessment). This report follows plain language guidelines, as required for federal agencies by the Plain Language Act of 2010. More information about plain language can be found at http://www.plainlanguage.gov/index.cfm. You will notice we have substantially reduced the use of acronyms and abbreviations and are using active voice and personal pronouns. We hope you find this report useful. If you have suggestions for improving this report, additional questions, or want a copy of this report, please contact us at envoutreach@lanl.gov, or call the Communications Office at 505-665-7000. This report, its supplemental tables, and the 2018 Annual Site Environmental Report Summary are available at http://www.lanl.gov/environment/environmental-report.php. Note: This document has been revised since it was initially published on September 23, 2019. The revisions included corrections to figure and table references, changes in heading levels, adding blank pages where appropriate, and changes of an editorial nature.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Attacking the IEC-61131 Logic Engine in Programmable Logic Controllers in Industrial Control Systems

In industrial control systems (ICS), programmable logic controllers (PLCs) directly monitor and control a physical process such as nuclear power plants, gas pipelines, and water treatment. They are equipped with a control logic written in IEC-61131 languages (e.g., ladder logic and structured text) that defines how a PLC should control a physical process. A PLC's control logic is a usual target of a cyberattack to sabotage a physical process. For instance, Stuxnet targets a control logic of a Siemens S7-300 PLC to damage a nuclear facility's centrifuges. The existing attacks in the literature generally focus only on injecting malicious control logic into a PLC. This paper presents a new dimension of control logic attacks that target the control logic engine (responsible for running a control logic) of a PLC. It demonstrates that a cyberattack can disable the control logic engine successfully by exploiting inherent PLC features such as program mode and starting/stopping engine. We develop two novel case studies on control logic engine attacks by employing the MITRE ATT\&CK knowledge base on the real-world PLCs used in industry settings, i.e., 1) Schweitzer Engineering Laboratory (SEL)'s Real-Time Automation Controller (SEL-3505 RTAC) equipped with security features such as encrypted traffic and device-level access control, and 2) traditional PLCs, i.e., Schneider Electric's Modicon M221, Allen-Bradley's MicroLogix 1400 and 1100 that do not have security features. The case studies present the internals of the logic engine attacks and facilitate the ICS research community and industry to understand the attack vectors on the control logic engine. We evaluate the effectiveness of the control engine attacks on a power substation, a 4-floor elevator, and a conveyor belt to demonstrate their real-world impact of halting a physical process.

Ali qasim, Syed↗

DOE OSTI2016

NDMAS implementation and data qualification for accident tolerant fuel experiments

In order to meet quality and regulatory requirements associated with the U.S. Department of Energy Accident Tolerant Fuels (ATF) experiments, all data and documentation associated with ATF component fabrication, characterization, traceability, testing and post irradiation examination are being managed using the Nuclear Data Management and Analysis System (NDMAS). NDMAS melds commercial off-the-shelf software to provide the full range of needed functionality. The core component of NDMAS is the SAS Enterprise Business Intelligence software, which provides data manipulation, statistical and graphical capabilities, and delivery of live content to web pages. Content delivery to both Idaho National Laboratory researchers and external users via a web interface is managed using SharePoint, which is access-controlled. Additionally, scripts, macros, and commercial wrappers may be used or written by the NDMAS team to control interfaces between SAS and the structured query language server, where much of the data reside. ATF experiment data and documentation stored in the NDMAS database may be utilized to support Nuclear Regulatory Commission licensing of ATF concepts for commercial Light Water Reactor demonstration. Therefore, Data Qualification Plans are being developed to screen and tag all document and data input for ATR water loop testing, Transient Reactor Testing (TREAT), and post irradiation examination. A project-wide document library has been created in the ATF NDMAS SharePoint Site for general unrestricted document and information access. Restricted libraries have also been created to allow individual customer access to restricted documents. Data from ATR water loop instrumented lead experimentation, TREAT, and post-irradiation examination will be available to program participants on the SharePoint site as they are collected. This offers a unique capability for team collaboration while these tests are being conducted. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Applications of the Dulmage–Mendelsohn decomposition for debugging nonlinear optimization problems

Nonlinear modeling and optimization is a valuable tool for aiding decisions by engineering practitioners, but programming an optimization problem based on a complex electrical, mechanical, or chemical process is a time-consuming and error-prone activity. Therefore, there is a need for model analysis and debugging tools that can detect and diagnose modeling errors. One such tool is the Dulmage–Mendelsohn decomposition, which identifies structurally under- and over-determined subsets in systems of equations and variables by partitioning the bipartite graph of the system. This work provides the necessary background to understand the Dulmage–Mendelsohn decomposition and its application to the analysis of nonlinear optimization problems, demonstrates its use in diagnosing a variety of modeling errors, and introduces software implementations for analyzing nonlinear optimization problems in the Pyomo and JuMP algebraic modeling languages.

42 ENGINEERING↗

DOE OSTI2023

FrESCO: Framework for Exploring Scalable Computational Oncology

The National Cancer Institute (NCI) monitors population level cancer trends as part of its Surveillance, Epidemiology, and End Results (SEER) program. This program consists of state or regional level cancer registries which collect, analyze, and annotate cancer pathology reports. From these annotated pathology reports, each individual registry aggregates cancer phenotype information from electronic health records. This data is then used to create summary statistics about cancer incidence and mortality to facilitate population health monitoring. Extracting phenotypic information from these reports is a labor intensive task, requiring specialized knowledge about the reports and cancer. Automating the information extraction process from cancer pathology reports has the potential to improve data quality by extracting information in a consistent manner across registries. It can also improve patient outcomes by reducing the time from diagnosis, enabling rapid case ascertainment for clinical trials. Here we present FrESCO, a modular deep-learning natural language processing (NLP) library initially designed for extracting pathology information from clinical text documents. This repository is not solely limited to clinical medical text, but may also be used by researchers just getting started with NLP methods and those looking for a robust solution for their classification problems.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Makalu: fast recoverable allocation of non-volatile memory

Byte addressable non-volatile memory (NVRAM) is likely to supplement, and perhaps eventually replace, DRAM. Applications can then persist data structures directly in memory instead of serializing them and storing them onto a durable block device. However, failures during execution can leave data structures in NVRAM unreachable or corrupt. In this paper, we present Makalu, a system that addresses non-volatile memory management. Makalu offers an integrated allocator and recovery-time garbage collector that maintains internal consistency, avoids NVRAM memory leaks, and is efficient, all in the face of failures. We show that a careful allocator design can support a less restrictive and a much more familiar programming model than existing persistent memory allocators. Our allocator significantly reduces the per allocation persistence overhead by lazily persisting non-essential metadata and by employing a post-failure recovery-time garbage collector. Experimental results show that the resulting online speed and scalability of our allocator are comparable to well-known transient allocators, and significantly better than state-of-the-art persistent allocators.

97 MATHEMATICS AND COMPUTING↗

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 OSTI2025

SOC Microstructural Analyzer

This program was designed to analyze the 3-phase microstructure of the electrodes of a solid oxide fuel cell (SOFC) or electrolysis cell (SOEC), both referred to in combination as a solid oxide cell (SOC). It is agnostic to the exact system, so it could be repurposed to analyze any 3-phase microstructure. This tool directly analyzes segmented voxel-based data that has been segmented into phase IDs (1,2,3). The voxels will be analyzed directly for: - tortuosity factors - triple phase boundaries - 2-phase interfacial areas, using a meshed isosurface - mean diameters of each phase, using an inscribed sphere method - standard deviation of the diameters of each phase, from the same inscribed sphere data - connectivity information Comprehensive information is available in the readme file (within the zipped repository in Markdown language, and also available here as a rendered PDF). Please cite this page / DOI, as well as https://doi.org/10.1111/jace.14775, for usage.

3D microstructure↗

DOE OSTI2014

Converting DYNAMO simulations to Powersim Studio simulations

DYNAMO is a computer program for building and running 'continuous' simulation models. It was developed by the Industrial Dynamics Group at the Massachusetts Institute of Technology for simulating dynamic feedback models of business, economic, and social systems. The history of the system dynamics method since 1957 includes many classic models built in DYANMO. It was not until the late 1980s that software was built to take advantage of the rise of personal computers and graphical user interfaces that DYNAMO was supplanted. There is much learning and insight to be gained from examining the DYANMO models and their accompanying research papers. We believe that it is a worthwhile exercise to convert DYNAMO models to more recent software packages. We have made an attempt to make it easier to turn these models into a more current system dynamics software language, Powersim © Studio produced by Powersim AS 2 of Bergen, Norway. This guide shows how to convert DYNAMO syntax into Studio syntax.

97 MATHEMATICS AND COMPUTING↗