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Report on Workshop on Artificial Intelligence in Strategic Planning and Science Prioritization

This report details the observations from a two-day virtual workshop, held May 12-13, 2020, focused on whether, and how, artificial intelligence (AI) could assist humans in strategic planning, specifically in science and technology prioritization. The participants identified several “key challenges” that AI might tackle in this area. To further understand the value of these key challenges the workshop then developed related test cases that would demonstrate specifically how AI/machine learning (ML) could provide assistance to humans. Approximately 40 subject matter experts (SMEs), with backgrounds in AI, strategic planning for science, and scientific data, were gathered for the conference. This report collates the details of the output of the workshop. The “best” test cases include (in no particular order):Use of AI to assist in selecting Decadal Survey priorities. * Use of AI to identify new, or previously unidentified, science topics for prioritization. * Using AI to better label and increase discoverability of scientific literature and proposals. * Use of AI to enhance current observation capabilities for scientific missions. * Using AI to mitigate biases in selection of proposal reviewers and membership of advisory committees. Examination of these test cases indicates that Natural Language Processing (NLP) is a common capability found in most of the ”best” (top-rated) test cases and is a valuable, multi-purpose tool which enables ML in this area.

strategic planning↗

Risk-informed Graded Approach for Reliability and Performance Assessment for Advanced Condition Monitoring Techniques

With the shift away from time-based maintenance and toward condition-based maintenance, and to reduce overall maintenance costs, there has been an upsurge in the usage and development of advanced condition monitoring (ACM) techniques for real-time monitoring of nuclear power plant (NPP) components. ACM is particularly useful in the development of digital twins, which are designed to predict the failure or degradation of plant components. Successful implementation of ACM requires an assessment to inform the development of a risk-informed approach to evaluate the use of ACM to meet Nuclear Regulatory Committee (NRC) regulations for in-service testing (IST) programs. This includes the monitoring and diagnostics of reactor components and systems in current, new, and advanced reactors. A key component in ACM is the usage of machine learning (ML) and artificial intelligence (AI) algorithms that can employ real-time data from instrumentation and sensors to detect and predict reactor component degradations. Such predictive capabilities enable early detection of component degradation so as to help plant personnel plan and execute necessary maintenance. For successful implementation of ML/AI in ACM such that regulatory requirements are met, a risk-informed graded approach is needed to assess the reliability and performance of ML/AI for ACM. The American Society for Mechanical Engineers (ASME) developed their Operations and Maintenance (O&M) Code to provide guidance on safe, reliable O&M of NPPs. The IST section of the O&M Code specifically establishes requirements for IST and examination to gauge operational readiness of components in water-cooled NPPs. This paper presents a state-of-the-art review of how reliability and risk assessment can be integrated with ACM to assess component performance by non-nuclear industries. This is followed by different methodologies and approaches for conducting performance and reliability assessments so as to meet IST requirements for NPP components.

99 - GENERAL AND MISCELLANEOUS↗

Analysis of an optical imaging system prototype for autonomously monitoring zooplankton in an aquaculture facility

Traditional approaches to biomonitoring in aquatic systems, such as sample collection, sorting, and identification, require significant time and effort, thereby limiting the spatiotemporal resolution of sample collection. Additionally, collection and preservation of samples for subsequent taxonomic identification and enumeration leads to mortality of organisms. Recent advances in technologies that utilize optical imaging and machine learning have provided new opportunities to expedite biomonitoring and lead to significant cost savings. These technologies can be advantageous to scientists or managers that conduct routine biomonitoring to inform operations, as in the case of aquaculture facilities. The Small Aquatic Organism optical imaging system (SAO) is a high-throughput optical imaging and classification prototype system that relies on computer vision and machine learning (Support Vector Machines, or SVMs) to autonomously identify and enumerate aquatic organisms. The SAO provides a more sustainable method of collecting large volumes of data and has the benefit of being used in situ. In this study, we tested the performance of the SAO in providing comparable results to manual zooplankton community monitoring in ten ponds at an aquaculture facility. We performed a side-by-side study comparing the sampling methods of plankton tow nets, where major zooplankton taxonomic classes were manually identified and enumerated, to sampling with the SAO. Vouchered samples were used to develop a training library for the SAO, where classes consisted of water boatman and zooplankton groups: cladocerans, copepod adults, copepod nauplii, and rotifers. SAO imagery was manually classified and compared with predicted results for validation. Accuracy for the SVM classifier of the SAO was 37.4 %. Convolutional Neural Networks (CNN) and Random Forest classifiers were also applied to SAO imagery and image features for comparison. The best CNN model and our Random Forest model had accuracies of 80.4 % and 46.6 % respectively. Challenges faced included the small size of copepod nauplii and rotifers and the limited resolution of the imaging camera, although there are tradeoffs between imaging resolution and the sample processing rate. Furthermore, our comparison shows that advancement in both optical imaging and ML are needed in order for the SAO prototype to yield comparable results to manual community monitoring in an aquaculture facility.

54 ENVIRONMENTAL SCIENCES↗

Self-adaptive weights based on balanced residual decay rate for physics-informed neural networks and deep operator networks

Physics-informed deep learning has emerged as a promising alternative for solving partial differential equations. However, for complex problems, training these networks can still be challenging, often resulting in unsatisfactory accuracy and efficiency. In this work, we demonstrate that the failure of plain physics-informed neural networks arises from the significant discrepancy in the convergence rate of residuals at different training points, where the slowest convergence rate dominates the overall solution convergence. Based on these observations, we propose a pointwise adaptive weighting method that balances the residual decay rate across different training points. The performance of our proposed adaptive weighting method is compared with current state-of-the-art adaptive weighting methods on benchmark problems for both physics-informed neural networks and physics-informed deep operator networks. In conclusion, through extensive numerical results we demonstrate that our proposed approach of balanced residual decay rates offers several advantages, including bounded weights, high prediction accuracy, fast convergence rate, low training uncertainty, low computational cost, and ease of hyperparameter tuning.

Balanced convergence rate↗

Machine-Learning-Based Mapping and Modeling of Solar Energy with Ultra-High Spatiotemporal Granularity

Despite the rapid growth of solar energy, we still lack a dynamic, high-fidelity database that tracks the spatiotemporal variations of solar PVs and their associated infrastructures across different places at a spatially resolved scale. The absence of such data presents a barrier to various applications such as solar PV growth projection, solar energy integration, solar incentive design, and climate risk assessment. In this project, we aim to bridge this gap by developing AI-based algorithms to extract granular information about solar PV installations and their associated infrastructures (i.e., distribution grids) from widely available unstructured data like remote sensing images and street views. As a result, we have built the Solar Energy Atlas, a fine-grained, large-scale geospatial overlay of distributed solar PVs and distribution grids. On top of it, we have advanced the understanding of solar adoption and distribution grid vulnerability to climate-induced extremes. Our major contributions can be summarized as follow: (1) By developing new AI algorithms, we have built the most comprehensive solar PV spatiotemporal database covering the entire US. This is the first time we obtained the exact GPS locations, size, subtype, and installation year information for rooftop solar PVs across the US. This database can be used for solar PV growth projection, solar energy integration, solar energy policy analysis and design, and spatially-resolved climate risk assessment. (2) Leveraging this database, we have uncovered the socioeconomic driving factors that are correlated with earlier onset of solar adoption and higher saturated adoption levels. We have identified the heterogeneity in the effects of different types of financial incentives on solar adoption and provided implications for tailoring incentive design based on local income levels to promote equitable solar adoption. (3) We have developed a distribution grid GIS mapping algorithm which can obtain granular geospatial and topology information about distribution grids using multi-modal open data, reducing the dependency on hard-to-obtain smart meter data of conventional approaches. It shows effectiveness in both the U.S. and Sub-Saharan Africa. Using this algorithm, we have uncovered the non-uniform vulnerability of distribution grids to wildfires in California in the aspects of undergrounding protection and Distributed Energy Resources (DER) preparedness. This has provided important implications for improving the affordability and equity of grid adaptation approaches. (3) We have made our produced database publicly available and provided user-friendly interface to enable various stakeholders and the general public to interact with the data. We have also integrated the produced data into the Data Commons platform to enable the public to access the data and correlate it with other location-specific characteristics simply using natural language as queries. The impact of our project is three-fold: (1) New algorithms for mapping solar PVs and distribution grids across space and time, which are open source to facilitate researchers and industry; (2) New databases of solar PVs and distribution grids that have been made publicly available for engineering, social, and policy applications; (3) New understandings and actionable insights on the potential approaches to promoting solar adoption and reducing energy infrastructure vulnerabilities. In this report, we start by discussing the project background and motivation (section 5), followed by the overview of project objectives (section 6). Results and discussion for each task are presented in section 7. Significant accomplishments are summarized in section 8. This report will be concluded by discussing the paths forwards (section 9), products (section 10), and team roles (section 11).

14 SOLAR ENERGY↗

Artificial Intelligence Medical Support for Long-Duration Space Missions

We envision an artificial intelligence (AI) based system that will provide support and recommendations to the crew medical officer (CMO) and ground flight surgeon during long-duration space missions. Such a system would be pretrained on the knowledgebase of clinical knowledge on Earth, minimizing the amount of Earth data that needs to be transferred into space. Then during deployment, the system would be constantly refined through active learning from diverse streams of data from sensors in the spacecraft, data collected daily from individual astronauts, and human-in-the-loop feedback from the crew. The model could be interrogated for predictions and recommendations on personalized crew health based on the overall status of the spacecraft, medicinal stores, and status of other crew members. Adaptation techniques would be used to incorporate spaceflight data that have very different distributions from the training data due to the extreme environment. Edge computing and the most advanced neuromorphic processing would enable computation in scenarios with low power and bandwidth, while dimensionality reduction would be employed to ensure that the input data streams from spaceflight are as small as possible. In order to realize this long-term vision, several hardware and software aspects need to be developed and assembled. First, models pretrained on Earth biomedical data would need to be evaluated for predictive accuracy, and the best one selected. That model would need to be adapted to learn from diverse, sparse, and inconsistently measured data streams, as well as human-in-the-loop feedback. A data integration, standardization, and dimensionality reduction methodology would need to be developed to handle all data types and feed them into the model. Once the software and data infrastructure is developed, it would need to be integrated with small footprint compute processors and tested in high-radiation, high-vibration, unregulated temperature situations. As a short-term goal, we recommend to focus on the development of the data and model software structure. Several large language models (LLM) already exist that have been trained on Earth biomedical and clinical knowledgebases, including BioMedLLM, Med-PaLM, SPOKE LLM, and Foresight. These models need to be evaluated for accuracy and the best one chosen for a proof-of-concept structure, while maintaining awareness of the accelerating AI field and incorporating any newly improved model architectures as needed. Then, we recommend to develop a database of synthetic data types to mimic the diverse data streams that are expected in a long-duration space mission. This should include environmental and microbial data from the spacecraft, non-invasive data from wearables and point-of-care devices employed by astronauts, and more invasive molecular and physiological monitoring of clinical and biomarker data from astronauts. The data standardization methodology should be developed, and these data streams used to refine the clinical LLM. Several scenarios should be developed that could plausibly come up in a long-duration space mission, and changes or aberrations introduced to the data at specific times to mimic these scenarios. Then, question and answer tasks should be designed to interrogate the model for predictions and recommendations, with acceptable answers already identified.

Artificial Intelligence↗

MindSynchro

This report presents the developments and results of MindSynchro project as part of DOE OE FOA 1861. DOE and Pacific Northwest National Laboratory (PNNL) have made available to FOA awardees datasets containing years of real historical data recorded from various phasor measurement units (PMUs) which are installed in three large US interconnections: Texas (IC A), Western (IC B), and Eastern (IC C). The main goal of the project, which was successfully achieved, was to develop methods for detection and identification of events which are relevant for power grid operation. Tasks performed for achieving the project goals included data exploration and pre-processing, the development and application of physics-based features, data analysis and labeling based on unsupervised learning approaches, training and testing of DSSL models for classification of events which are relevant for power grid operation, and deployment of solutions to cloud environments. The methods developed in the project can potentially provide relevant benefits to power grid asset owners/operators in general in terms of situational awareness. Two main types of outcomes can be provided by these tools: Identification of specific relevant power grid event types: Semi-supervised ML methods developed in the project can adequately employ not only the relatively scarce labeled data but also the large amount of available unlabeled data to train models for detection of specific event types. Such methods enable the application of trained models for the detection of events in a population of PMUs much larger than that associated to the labeled events. Support in data labeling / label validation: Labels are critical for training of models for identification of specific types of events. However, labeling large amounts of data is a manual and tedious process. This means that such process is error prone and is not scalable. Methods developed in the project, based on ensembles of clustering models, have been successfully employed for turning manual labeling into a scalable process. Accurate identification of specific relevant events can provide the operators with immediate situational awareness that could otherwise require hours or days of analysis from domain experts. We envision that such methods could be initially employed in support of post-mortem analysis of events and, as confidence is gained, they could be employed for online/real-time support, providing, among other benefits, insights for avoiding major events which could happen due to a combination of smaller ones. On the longer term, related methods could potentially be employed to improve protection and control.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Recent Progress in Solid‐State Lithium Batteries through Cathode Microstructure Engineering

A high‐performance cathode is necessary to realize the great potentials of solid‐state batteries such as high energy density and long cycle life. It is also needed to validate electrolyte performance, which is lacking. Currently, cathodes for solid‐state batteries are thinner and have lower cathode active material content than their lithium‐ion battery counterpart, resulting from insufficient conductivity and limiting the battery energy density. This review article provides an overview of recent development in cathode microstructures and their impact on battery properties, including compatibility between cathode and electrolyte, cathode architecture design, interface engineering, correlation between material properties, cathode processing approaches, and performance, as well as the advanced characterization methods used to understand the above correlations . Some perspectives on future development are shared including utilizing in situ and operando characterization tools to better understand dynamic evolution of the cathode/electrolyte interface, adapting artificial intelligence and machine learning to design and optimize cathode structures. The article is aimed to promote research interest on cathode development and advance solid‐state battery technologies.

cathode engineering↗

Architectural Approaches for Integrating ADMS and DERMS: Challenges, Comparisons, and Real-World Use Cases

The electrical distribution landscape is rapidly transforming due to the proliferation of distributed energy resources (DERs) such as solar panels, wind turbines, battery storage systems, combined heat and power units, and electric vehicles, introducing variability and uncontrollability that traditional grid operators are ill-equipped to manage. This transformation is further accelerated by advancements in Information and Communication Technology infrastructure that connects control centers with end devices, demanding automation and a deeper understanding of new technologies by utility personnel. Advanced grid control techniques using system-level optimization, Artificial Intelligence, and Machine Learning at the enterprise level and distributed level are evolving to address these issues. There is also an opportunity to utilize the enormous data created by these new DER technologies in the grid. Advanced Distribution Management Systems (ADMS) and Distributed Energy Resource Management Systems (DERMS) are critical in addressing these challenges by automating grid operations and enhancing reliability. Given the relatively recent development of ADMS and DERMS, and the still relatively low level of ADMS and DERMS deployment in the industry, there is a notable deficiency in the comprehensive understanding of the challenges and benefits associated with these new technologies, especially with their complementary natures and integration architectures. This paper aims to bridge the knowledge gap in ADMS and DERMS integration, presenting three distinct integration architectures currently available, and discussing the challenges and benefits of each architecture to guide utilities, industry professionals, and researchers in optimizing grid management and decision-making processes for a resilient and efficient energy future.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage

The development of novel energy materials and fuels is required to expand current available energy sources. Aiming to reach this goal, there is growing interest in using molecular hydrogen as an energy carrier due to its abundance and high energy density. Liquid organic hydrogen carriers (LOHCs) are a promising route to the large-scale storage and transport of hydrogen for use in the energy economy. The search for thermodynamically viable LOHC molecules for real world use has led to a set of constraints on the dehydrogenation enthalpy and the minimum gravimetric hydrogen capacity. These constraints allow one to formulate the search for an ideal LOHC candidate molecule as an optimization problem well suited to the strengths of machine learning and artificial intelligence computational approaches. A critical barrier to a large-scale, high-throughput screening of LOHC candidate molecules is the lack of reliable training data. Computational electronic structure methods including density functional theory, coupled cluster approximations, and diffusion Monte Carlo can be used to provide training data where experimental data are either unreliable or do not exist. In this work, we use these methods to calculate the dehydrogenation energies and enthalpies of candidate LOHC molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Digital Twin Technology for Safety, Security, and Training in Spent Nuclear Fuel Handling

The increasing complexity of spent nuclear fuel handling requires significant resources to ensure safety, security, and personnel training. As nuclear facilities have continued to advance in scale and technology, the integration of digital tools has become indispensable. Among these tools, digital twins, which are virtual models of physical systems, are emerging as invaluable tools for enhancing safety protocols, security measures, and training in the nuclear sector. These models were conceptualized in the Industry 4.0 revolution. Digital twins can process data from physical systems in real time (by using sensors), include multiple code packages to enable simulations of different physics applications, and even implement artificial intelligence or machine learning techniques for advanced data processing. Despite the advantages that digital twins provide, challenges still exist regarding their widespread implementation. For instance, data used by a digital twin must be accurate to ensure that the digital twin is accurately tuned. Furthermore, if insecure digital twins are targeted by hackers, then they can pose serious risks to the security and safety of nuclear facilities.

Digital twins↗

Regression Analysis with the Directed Infusion of Data

Integrating artificial intelligence and machine learning tools into industry necessitates large-scale collaborative efforts that ensure the robust and accurate execution of downstream analytics such as time series prediction, uncertainty quantification, grid optimization, and condition monitoring. However, concerns related to data privacy pervade the nuclear industry due to the proprietary nature of its data and the possibility of data leakage. Legacy techniques such as encryption often require the explicit transmission of data to trustworthy parties, thereby inviting data leakage concerns. The ideal collaboration scenario avoids the explicit dissemination of data/code while maintaining experimental fidelity, which is currently accomplished using various techniques such as trusted execution environments, homomorphic encryption, differential privacy, and multimatrix masking. These techniques, however, often necessitate a trade-off between trust, efficiency, and utility. This article extends a previously proposed technique called the directed infusion of data (DIOD) that ensures data privacy, allows for scalable obfuscation, and combats the risk of data leakage without compromising utility. The experiments discussed in this article examine a regression-type scenario using DIOD with the goal of preserving the inferential link between two variables. Using the point-kinetics equations, regression experiments compare the performance of a model trained using the original data to that of a model trained using the obfuscated data, which produced identical results. Our claim is further strengthened by an information theoretic proof and experiment, which showed that the inferential content between variables remains the same after obfuscation, thereby avoiding the required communication of the proprietary data.

47 - OTHER INSTRUMENTATION↗

Realizing the scientific program with polarized ion beams at the future BNL Electron Ion Collider

Polarized ion beams at the Electron Ion Collider (EIC) are essential to address some of the most important open questions at the twenty-first century frontiers of understanding of the fundamental structure of matter. Here, in this work, we summarize the science case and identify polarized 2 H, 3 He, 6 Li, and 7 Li ion beams as critical technology that will enable experiments which address the most important science. Furthermore, we discuss the required ion polarimetry and spin manipulation at the EIC. The current EIC accelerator design is presented. We identify a significant research and development effort across national and international laboratories and universities that is required over about a decade to realize the polarized ion beams and estimate (based on previous experience) that it will require about 20 full-time equivalent (FTE) over 10 years (or a total of about 200 FTE-years) of personnel, including graduate students, postdoctoral researchers, technicians, and engineers. Attracting, educating, and training a new generation of physicists in experimental spin techniques will be essential for the successful realization. Artificial intelligence and machine learning are seen as having significant potential for both acceleration of research and development and amplification of discovery in the optimal realization of this unique quantum technology on a cutting-edge collider. The research and development effort is synergistic with research in atomic physics and fusion energy science.

43 PARTICLE ACCELERATORS↗

Agentic artificial intelligence for multistage physics experiments at a large-scale user facility particle accelerator

We present a language-model-driven agentic artificial intelligence (AI) system to autonomously execute multistage physics experiments on a production synchrotron light source. Implemented at the Advanced Light Source particle accelerator, the system translates natural language user prompts into structured execution plans that combine archive data retrieval, control-system channel resolution, automated script generation, controlled machine interaction, and analysis. In a representative machine physics task, we show that preparation time was reduced by 2 orders of magnitude relative to manual scripting even for a system expert, while operator-standard safety constraints were strictly upheld. Core architectural features, plan-first orchestration, bounded tool access, and dynamic capability selection, enable transparent, auditable execution with fully reproducible artifacts. These results establish a blueprint for the safe integration of agentic AI into accelerator experiments and demanding machine physics studies, as well as routine operations, with direct portability across accelerators worldwide and, more broadly, to other large-scale scientific infrastructures.

Accelerator/storage ring control systems↗

Scanning Probe Microscopy in the Information Age

Scanning probe microscopy (SPM) has brought scientific exploration, visualization, and control to nanoscale. A plethora of measurement approaches and techniques devised around SPM enabled probing structure and functionalities crucial for virtually all areas of science. While high-resolution electron microscopy techniques preceded scanning probes, SPM effectively opened the door to probing the structure–property relationship on length scales spanning 100s of micrometers down to a single atom. As the complexity of the material systems and the scientific questions increased, so too did the SPM techniques. Substantial efforts have been dedicated toward the development of better instrumentation platforms, probes, and novel spectroscopic measurements; however, many opportunities related to data processing and acquisition in SPM are just being realized now. This chapter will describe the recent progress in data-driven SPM by giving a broad overview of the field, the foundation of the scanning tunneling microscope (STM) and the atomic force microscope (AFM), as well as a description behind the operating principles and dynamic modes. A comprehensive overview of the multi-frequency techniques, Band excitation, and general acquisition mode SPM is given, setting the context for the application of big data, machine learning, and artificial intelligence in the field of dynamic SPM.

Collins, Liam↗

Report for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

Artificial intelligence (AI), machine learning (ML), and high-performance computing (HPC) are poised to transform biological research, spurring innovation in biotechnology and biosystems design. "is transformation will bring an explosion of new capabilities to control the expression of genomic information in living organisms and harness that information to invent new biobased technologies (Jinek et al. 2012; NASEM 2025).

59 BASIC BIOLOGICAL SCIENCES↗

2020 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is essential for addressing the increasingly complex national workforce demands stemming from the growth of computational science and engineering challenges. Computational science and engineering (CSE) takes a multidisciplinary approach that utilizes scientific computing to tackle practical problems and provide technical tools across the spectrum of scientific discovery. The DOE CSGF specifically highlights high-performance computing (HPC) as a critical enabling technology in CSE, driving advancements in science and engineering that are vital to both the DOE and the broader economy. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines have been transformed through the augmentation of scientific observation via HPC. At government laboratories, academic institutions, and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, quantum information systems, fusion-reactor design, machine learning, additive manufacturing, nano materials for next-generation batteries and transistors, and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing. Computational biology, machine learning, and quantum computing are among the subjects that began to swell in the ranks of CSGF applicants before the labs were hiring as high a percentage of employees in these categories.” The explosion of scientific and technological data has heightened the demand for advanced high-performance computing (HPC) to transform these data into meaningful scientific insights. As access to vast amounts of data increases, the fields of Machine Learning and Artificial Intelligence are experiencing a resurgence, enhancing the established practices of computational modeling and simulation. In its September 2020 subcommittee report on "AI/ML, Data Intensive Science, and High-Performance Computing," the DOE Advanced Scientific Computing Advisory Committee (ASCAC) specifically called for a fellowship program to train computational and data scientists to address exascale and data-intensive computing challenges. This integration of empirical and theoretical modeling will increasingly guide federal policymakers in making decisions that impact American society and future generations. It demands a workforce of highly skilled and intellectually agile computational scientists capable of navigating the rapid advancements in scientific computing within the DOE National Laboratory research environment. The DOE CSGF program has consistently addressed this critical need.

97 MATHEMATICS AND COMPUTING↗

From Data to Discovery: AI's Transformative Role in Thin Film Research

The advancement of thin film technologies is pivotal for progress in numerous fields, including energy, electronics, and quantum computing. However, the traditional trial-and-error approach to materials discovery is inherently slow and inefficient. This presentation will showcase how artificial intelligence (AI) is transforming thin film research by enabling a data-driven paradigm shift. We will highlight our past successes in applying AI to understand radiation damage in thin film oxides, demonstrating how graph analytics can unravel complex material behavior. Additionally, we will provide insights into our current work at the National Renewable Energy Laboratory, where we are leading the charge in autonomous materials science. Backed by a $14M investment in our characterization facility, we are developing AI-guided workflows that seamlessly integrate experimentation and AI-guided decision-making. By harnessing the power of AI, we aim to accelerate the discovery and design of high-performance thin films, propelling innovation across a multitude of industries.

36 MATERIALS SCIENCE↗