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DOE OSTI2022

ORNL Second Target Station Project: Biological & Environmental Science Workshop

Recent advances in neutron sources and instrumentation have opened up many new opportunities for the application of neutron scattering techniques in the biological and environmental sciences. Neutrons enable studies of the structure and dynamics of biological and environmental samples with a particular sensitivity to light elements, such as hydrogen, which is a key component of biological and environmental samples. Studies using neutrons are complementary to X-rays and have the unique advantage of being non-destructive and highly-penetrating. Oak Ridge National Laboratory’s upcoming Spallation Neutron Source (SNS) Second Target Station (STS) will provide high brightness cold neutron sources that significantly advance the scientific capabilities of neutron scattering instruments. The STS will advance our understanding of biological and environmental processes across spatial and temporal scales. The capabilities will enhance our ability to discover, design, and develop new materials essential for advanced sustainable technologies to address society’s most pressing needs. This report summarizes the discussions and recommendations from a joint workshop held by the STS Project and the Biological and Environmental Systems Science Directorate (BESSD) in June 2022. The purpose of the workshop was to explore science opportunities and capabilities related to biological and environmental systems that could be incorporated into both current and future STS instrument designs, as well as additional instruments at the SNS First Target Station (FTS) and High Flux Isotope Reactor (HFIR). With six breakout sessions, each with two invited plenary speakers from other institutions, the participants discussed a wide range of topics relevant to biological and environmental research. Based on the input from participants, a number of recommendations on instrumentation, sample environments, complementary multi-modal methods, data processing and analysis and sample deuteration are provided in the report. The participants also identified science opportunities that are emerging from the planned instrument capabilities at STS. Selected recommendations and science opportunities are listed in the Executive Summary.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Genomes to Structure and Function Workshop Report 2022

The goal of the U.S. Department of Energy (DOE) Biological and Environmental Research (BER) Program is to achieve a predictive understanding of complex biological, earth, and environmental systems with the aim of advancing the nation’s energy and infrastructure security. (https://www.energy.gov/science/ ber/biological-and-environmental-research). To pursue this goal, collaborations among experts in diverse research areas that lead to multidisciplinary projects are indispensable. The roles of DOE’s User Facilities, which offer unique and powerful resources for such research projects, are evolving, and expectations for the facilities are increasing. To respond to Users’ needs, the Joint Genome Institute (JGI) and Environmental Molecular Sciences Laboratory (EMSL) initiated the Facilities Integrating Collaborations for User Science (FICUS) program in 2014. This collaboration has grown into a popular and successful program, advancing more than 100 multidisciplinary projects to date. Similarly, the new interFacility collaborations among the JGI, EMSL, and User resources for BER structural biology and imaging at the Basic Energy Science (BES) Program’s synchrotron and neutron facilities are becoming essential for cutting-edge transdisciplinary science. To further explore the need for the BER research community to combine genomic, functional, and structural approaches to advance their research, an organizing committee was formed to develop and jointly host a 3-part workshop. The committee’s members represented seven DOE National Laboratory User Facilities (Appendix 1 lists the members). The “Genomes to Structure and Function” virtual workshop (see Appendices 2–5) was composed of three sessions. The first session, titled “Molecular Structures” (October 27– 28, 2021), highlighted diverse integrative experimental and computational approaches correlating structural data with sequencing and functional information, as well as predicting protein structures to model complex biological systems. The second session, “Intracellular Organization, and Material Synthesis and Decomposition” (December 15–16, 2021), covered imaging methods for observing, quantifying, and manipulating biosystems. The third session, “Imaging the Rhizosphere and Cellular Organization” (January 26–27, 2022) emphasized advanced and non-invasive imaging techniques applied to plant root-microbe-soil interactions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

GMLC Technical Assistance to States: DER Interconnection Workshop #2 [Slides]

NREL hosted this workshops to help state public utility commissions (PUCs) understand the materials and support available to assist in distributed energy resource (DER) interconnection activities. This workshop focused on "Modern DER Capabilities and Deployment Concerns" and included four speakers, whose material will be posted at https://www.nrel.gov/grid/ieee-standard-1547/workshops.html. The slides in this deck were for the facilitator to provide context to the attendees, as well as additional resources on the topics discussed.

1547↗

DOE OSTI2023

Technology Acceptance Workshop Meeting Proceedings, April 20-29, 2022

The Renewable Energy Wildlife Institute and the National Renewable Energy Laboratory convened a virtual workshop facilitated by the Consensus Building Institute in April 2022 to identify recommendations on how to accelerate the rate of research and development, evaluation, and adoption of technologies for monitoring or minimizing wildlife impacts from wind energy. The workshop drew on expertise from stakeholder groups including technology developers, federal agencies, conservation nonprofits, and the wind industry. Over the course of four sessions, participants discussed incentives and barriers to technology development beginning with early field testing and validation, through full-scale experimental deployment, and finally broad-scale acceptance and commercial deployment.

17 WIND ENERGY↗

DOE OSTI2023

Workshop on Sustainable Aviation Fuel-Use Research Opportunities

On February 15-16, 2022, the U.S. Department of Energy’s (DOE’s) Vehicle Technology Office (VTO) within Energy Efficiency and Renewable Energy (EERE) convened a workshop to assess the end-use research opportunities for Sustainable Aviation Fuels (SAF). This report summarizes the proceedings and findings of the workshop, which the U.S. Department of Energy’s Argonne National Laboratory hosted as a virtual event. During these two half-days, invited members of national laboratories, industry, government, and academia connected virtually to share perspectives on SAF research needs for improving end-use adoption.

09 BIOMASS FUELS↗

DOE OSTI2023

Computational Requirements in Clean Energy and Manufacturing: Summary report of the virtual workshop held on June 28-29, 2021

On June 28–29, 2021, the US Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program in the Office of Science convened a workshop with the Energy Efficiency and Renew able Energy (EERE) program offices to assess the future need for advanced computing resources in the areas of clean energy and advanced manufacturing. In part, this discussion served as an update to earlier workshops and townhalls. ASCR is guided by DOE mission needs as it develops research programs, computers, and networks at the leading edge of technologies. As the exascale computing era dawns, technology changes are creating new opportunities for those who must use high-performance computing (HPC) and data systems effectively. The ASCR computing facilities are augmenting their strategy to adapt to changing science needs and emerging technologies and to leverage the utility of exascale computing across the federal government.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Over the past decade, fundamental changes in artificial intelligence (AI)—from foundational to applied—have delivered dramatic insights across a wide breadth of U.S. Department of Energy (DOE) mission space. AI is helping to augment and improve scientific and engineering workflows (e.g., for control, design, and dramatic performance gains through surrogate models) in national security, the Office of Science, and DOE’s applied energy programs. The progress and potential for AI in DOE science was captured in the 2020 “AI for Science” report from the DOE laboratory community in collaboration with academia and industry. Specific scientific areas ready to further leverage the power of AI ranged from the scale and performance of computational models to data analysis to creating new classes of observations using computer vision. Since that report, the scale and scope of scientific AI have accelerated, revealing new, emergent properties that yield insights that go beyond enabling opportunities to being potentially transformative in the way that scientific problems are posed and solved. Thus, under the guidance of both the Office of Science (SC) and the National Nuclear Security Administration (NNSA), the DOE national laboratories organized a series of workshops in 2022 to gather input on new and rapidly emerging opportunities and challenges of scientific AI. This 2023 report is a synthesis of those workshops. The scientific community believes AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security. Further, DOE has unique capabilities that enable the community to drive progress in scientific use of AI, building on long-standing DOE strengths and investments in computation, data, and communications infrastructure, spanning the Energy Sciences Network (ESnet), the Exascale Computing Project (ECP), and integrative programs such as the NNSA Office of Defense Programs Advanced Simulation and Computing (ASC) and the SC Scientific Discovery through Advanced Computing (SciDAC) programs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Student and Post Doctoral Support for the 8th Workshop on Nanotube Optics and Nanospectroscopy (Final Technical Report)

This project provided financial assistance for 20 postdoctoral and graduate students to attend the 8th Workshop on Nanotube Optics and Nanospectroscopy (WONTON 2022). The WONTON 2022 workshop was held in-person in Madison, Wisconsin (USA) from July 24th to 28th, 2022, and the organizers were Dr. Michael Arnold of the University of Wisconsin, Madison and Dr. Jeffrey Blackburn of the National Renewable Energy Laboratory (NREL). The funding support was specifically used to defray the registration costs of 5 postdoctoral attendees and 15 graduate students, who each participated directly in the meeting by presenting a contributed talk or poster.

2D materials↗

DOE OSTI2023

Summary Report of the Workshop on Compilation of Experimental Nuclear Reaction Data

This report summarizes the IAEA Workshop on Compilation of Experimental Nuclear Reaction Data held at the IAEA Headquarters in Vienna, Austria from 13 to 16 December 2022. The meeting was attended by 23 participants representing 12 cooperative Centres from seven Member States (China, Hungary, Japan, Korea, Russia, Ukraine and USA) and two International Organisations (NEA, IAEA) as well as a participant from Mongolia and Spain. A summary of the workshop is given in this report along with the conclusions and actions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Support of the Third Summer School and Workshop Focused on Theory and Applications of Time-Dependent Density Functional Theory, Electronic Excited States, and Excited State Dynamics

To create a community of scholars with a deep understanding of TDDFT and excited state methods, both their capabilities and limitations, and how they can be used to model the excited state properties and charge transfer in materials and molecules, we are planning the third iteration of a summer school and workshop focusing on theory and applications of TDDFT, Excited States, and Excited State Dynamics to be offered in the summer of 2023. The two iterations of the US-based school that we previously organized have been very successful with overwhelmingly positive feedback. There is a high level of engagement, enthusiasm, and active participation and networking amongst the students of the school and the scientists of the workshop.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

AI-Enhanced Co-Design for Next-Generation Microelectronics: Innovating Innovation [Workshop Report]

In April 5-7, 2022, Sandia National Laboratories hosted a second virtual workshop to further explore the potential for developing AI-enhanced co-design for microelectronics (AICoM). This second piece in an ongoing workshop series again brought together two themes. The first theme, co-design for next generation microelectronics, was drawn from the 2018 Department of Energy Office of Science (DOE SC) “Basic Research Needs for Microelectronics” (BRN) report (DOE/SC, 2018, 2021), which called for a “fundamental rethinking” of the traditional design approach to microelectronics, in which subject matter experts (SMEs) in each microelectronics discipline (materials, devices, circuits, algorithms, etc.) work near-independently. Instead, the BRN called for a non-hierarchical, egalitarian vision of co-design, wherein “each scientific discipline informs and engages the others” in “parallel but intimately networked efforts to create radically new capabilities.” The second theme, exploiting and advancing artificial intelligence (AI) to support co-design for microelectronics, acknowledges the continuing breakthroughs in AI that are currently enhancing and accelerating solutions to traditional design problems in materials synthesis and processing, circuit design, and electronic design automation (EDA).

42 ENGINEERING↗

DOE OSTI2022

Managing Climate-Driven Zoonotic Risk Interagency Workshop Report

In July 2022, Sandia National Laboratories hosted a workshop in Washington, D.C., bringing together representatives from eleven Federal Government agencies, responsible for public health, environmental security, and biodefense, as well as six Department of Energy (DOE) National Laboratories, to discuss how to work together to address climate-driven zoonotic disease risk. The primary goal of this workshop was to provide a forum for Federal and DOE National Lab attendees to share their missions, programs, and capabilities relevant to zoonotic disease emergence, to discuss how to best leverage these collective resources, identify key gaps, and to determine an effective path forward.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Measuring Life Cycle Greenhouse Gas Emissions From Water Resource Recovery Facilities Workshop Report

The U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy, Industrial Efficiency and Decarbonization Office hosted the Measuring Life Cycle Greenhouse Gas Emissions From Water Resource Recovery Facilities Workshop on Jan. 23–24, 2024, in Washington, D.C. The event brought together representatives from water resource recovery facilities, national laboratories, technology providers, academic researchers, industry consultants, and government agencies, to gather input on the challenges and opportunities in greenhouse gas measurement at water resource recovery facilities and how to effectively leverage future DOE efforts to reduce these uncertainties through potential measurement campaign(s). This report is a summary of the views expressed by individual participants during the workshop; it is not intended to represent DOE’s views or programmatic priorities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Report for the 2024 ASCR Workshop on Energy-Efficient Computing for Science

In September 2024, the US Department of Energy’s Advanced Scientific Computing Research pro gram convened a Workshop on Energy-Efficient Computing for Science to address the critical research challenges and opportunities in this field. The workshop brought together experts from academia, government, and industry to explore innovative approaches to improve energy efficiency across the computing stack over the next two decades. Participants identified five priority research directions (PRDs) that emphasize the need for a holistic approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Revolutionizing Neuromorphic Computing for Science (Brochure on the 2024 ASCR Workshop on Neuromorphic Computing for Science)

The ASCR basic research needs for Neuromorphic Computing for Science workshop was held in September 2024. The workshop brochure and report aim to inform and draft a set of grand challenges for advancing the field of neuromorphic computing and developing proof of principle neuromorphic circuits applicable for High Performance Computer (HPC) acceleration for scientific discovery, and brainstorm ideas needed for a successful, robust, and world leading basic research program. The resulting priority research directions are: (1) Neuromorphic computing circuit primitives; (2) Connectivity, communication, and hardware integration; (3) Neuroscience-derived dynamics and algorithms; and (4) Ecosystem for scalable neuromorphic co-design. Breakthroughs in understanding, designing, and prototyping the circuitry and simulation capabilities for a truly neuromorphic computer are essential to enable progress in the field.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Revolutionizing Neuromorphic Computing for Science (Report for the 2024 ASCR Workshop on Neuromorphic Computing for Science)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Biomimicry in Clean Energy Futures: Workshop Report

On July 25, 2023, PNNL hosted a workshop to explore the potential for biomimicry – looking to nature and biology for solutions to human engineering challenges – to support clean energy futures and associated research. Participants represented a range of technical expertise ranging from ecological modeling to cyber-security. Workshop supporting material featured a literature review of biomimetic approaches in all renewable energy technologies and inspired from all kingdoms of life. Participants noted clear contrasts between natural design strategies and clean energy deployment and the electric grid. They also agreed that biomimicry offered a rich area of research potential but lacked definitive benefits or results in commercialization phases.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Natura Resources Molten Salt Research Reactor (MSRR) Fuel Workshop: Summary Report

Idaho National Laboratory (INL) hosted the Natura Resources team in Idaho Falls for a 3-day fuel workshop, July 16-18, 2024. The purpose of this workshop was to understand Natura’s fuel requirements, determine the feasibility of producing that fuel at INL, and define the scope of work that would enable fueled operation of the Natura MSR-1 being deployed at Abilene Christian University (ACU).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗