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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A Probabilistic Approach to Load Modeling for Central HVAC Systems in Large Commercial Buildings for Retrofit Decisions Under Uncertainty

Retrofitting central HVAC systems in large commercial buildings with advanced technologies like heat recovery chillers (HRCs) offers a significant opportunity to enhance energy efficiency. However, analyzing these retrofits is challenging with traditional whole-building simulation tools, which require intensive calibration and struggle to model innovative system configurations and controls. To overcome these limitations, this study proposes a load profilebased retrofit analysis framework that provides better decisions under uncertainty. The main focus of this paper is the development of a probabilistic load profile model that can be used in the framework by using exploratory data analysis (EDA) of measured building data to properly quantify its inherent variability. A non-parametric Gaussian Process (GP) model was employed to capture the time- and weather-dependent characteristics of the heating load while explicitly modeling its uncertainty. The model's effectiveness is demonstrated through strong predictive performance on unseen data and physically interpretable insights into load behavior. This data-driven, probabilistic load profile serves as a robust and flexible input for subsequent system simulations, enabling a more confident and statistically sound analysis of retrofit potential.

Ham, S W↗
DOE OSTI2026

Used Nuclear Fuel Management Using the Next Generation System Analysis Model

The U.S. Department of Energy (DOE) is leading the National effort to manage the back end of the nuclear fuel cycle, encompassing the safe transportation, storage/staging, and/or eventual disposal of used nuclear fuel (UNF) and high-level radioactive waste. The Next Generation System Analysis Model (NGSAM) is DOE’s discrete-event, agent-based simulation tool designed to model the full life cycle of UNF from reactor discharge to final disposal. NGSAM supports the DOE Office of Spent Fuel and High-Level Waste Disposition by enabling a detailed, scenario-based analysis of logistics, infrastructure, and shipping strategies. NGSAM replaces legacy models with a modern, flexible platform built on Repast Simphony and enhanced by the Process Analysis Tool. NGSAM simulates the movement and interaction of individual fuel assemblies with system components such as canisters, casks, railcars, and facilities. The model integrates with the Java Transportation Operations Model to plan and execute transportation scenarios, supporting both constrained and unconstrained resource allocation. Key features include customizable allocation and acceptance algorithms, detailed facility-level operations, and a Quick Edit tool for rapid scenario adjustments. NGSAM supports multimodal transportation modeling (e.g. rail, road, barge) and provides comprehensive cost, schedule, and infrastructure data. NGSAM utilizes data from sources such as DOE’s STANDARDS UNF database and DOE’s Stakeholder Tool for Assessing Radioactive Transportation, while also allowing user-defined inputs for scenario customization. NGSAM enables stakeholders to evaluate complex UNF management strategies, assess system performance under varying assumptions, and inform decision making for future infrastructure investments. Its modular architecture and integration with other Integrated Waste Management System tools make it a critical asset for planning the safe and efficient disposition of the Nation’s growing UNF inventory.

Craig, Brian [Argonne National Laboratory (ANL)]↗
DOE OSTI2026

Co-Location of Cellulosic Bioethanol and Alcohol-to-Jet (ATJ) Production Facilities for Targeted Scale-Up of Sustainable Aviation Fuel (SAF) Production

Achieving aerospace industry net-zero emissions by 2050 requires rapid scaling of sustainable aviation fuel (SAF) production. Leveraging existing infrastructure, proven technologies like Alcohol-to-Jet (ATJ), and low carbon intensity (CI) feedstocks (e.g., switchgrass and miscanthus) can support this transition and help achieve near-term emissions reduction targets. This study evaluates the implications of lignocellulosic ethanol biorefinery siting and integration with petroleum refineries to produce SAF across 1000 sites randomly sampled from areas suitable for perennial grasses in the U.S. rainfed region. To better understand the logistics of material transport and handoffs, we integrated models of biomass harvest, transport, ethanol, and ATJ production in a stochastic framework based on Monte Carlo simulations to characterize SAF minimum selling price (MSP) and carbon intensity (CI), considering site-specific parameters (e.g., feedstock production, transportation, taxes, incentives). The results indicate trade-offs between MSP and CI across locations, with median MSP ranging from 7.9 to 12.8 USD·gal −1 and CI from −9.7 to 39.4 gCO 2 e·MJ −1 . Despite high estimated decarbonization costs (580 USD·tonCO 2 e −1 ), our results indicate that site-specific deployment of ATJ with low-CI feedstocks can improve sustainability outcomes. The framework provides a systematic approach to assess cost and sustainability trade-offs across locations, considering the end-to-end supply chain and supporting an informed investment in SAF production.

09 BIOMASS FUELS↗
DOE OSTI2025

Probing Operando Electrochemical Strain Generation in α-NaFeO 2 Composite Cathodes during Cycling of Na-Ion Batteries

The transition metal oxide (TMO) cathodes in Na-ion batteries suffer from low-capacity retention. Chemo-mechanical instabilities lead to the deterioration of the electrochemical performance of TMO cathodes in Li-ion batteries. However, there is not much known about the chemo-mechanical instabilities in the TMO cathodes for Na-ion batteries. Understanding the governing forces behind the interplay between the electrochemical performance and mechanical stability in TMO cathodes is critical for the development of Na-ion batteries. Here, we synchronize the digital image correlation (DIC) technique with electrochemical analysis to capture the real-time deformation behavior of the α-NaFeO 2 cathodes during cycling. When the charge cutoff voltage is 3.6 V, the cathode experiences reversible deformations (except for the first cycle). There is negative strain (shrinkage) generation during Na extraction and positive strain (expansion) generation during the subsequent Na insertion. A detailed analysis of the potential-dependent strain rate evolution points out complicated phase transformations and nonequilibrium conditions in the α-NaFeO 2 cathodes during cycling. When the charge cutoff voltage was increased to 4.2 V, there was a rapid capacity loss and large plastic deformations in the α-NaFeO 2 cathodes. We provide an in-depth discussion about the possible mechanisms behind the chemo-mechanical instabilities in the α-NaFeO 2 . In conclusion, the correlation is critical to develop material-based strategies to mitigate instability mechanisms in TMO cathodes for Na-ion batteries.

Wable, Minal [University of Maryland Baltimore Cou↗
DOE OSTI2026

Envelope-driven comfort risk in residential demand response

Residential demand response (DR) is a valuable resource for grid reliability, but remains challenging because the highly heterogeneous residential building stock leads to widely varying and hard-to-predict load and comfort responses during DR events. Although prior research has estimated the technical potential of DR-capable technologies for achieving energy demand savings, little is known about how they affect thermal comfort. In particular, it remains unclear how indoor thermal conditions due to DR depend on the thermal envelope characteristics of the housing stock. To address this gap, this study provides a systematic, location-specific assessment of indoor thermal performance during DR-events across the US housing stock using both typical DR weather data and detailed building metadata. We evaluate how envelope characteristics influence indoor temperatures during realistic simulated summer and winter DR events across 37 US locations, applying both temperature threshold and rate of temperature change criteria to estimate region-level probabilities of discomfort. Additionally, we show the impact of distinct weather patterns that intensify or abate thermal stress on comfort outcomes. Results show a near-universal overheating risk in summer DR events, where comfort outcomes are strongly influenced by rapid risk of comfort violations. In contrast, overall winter DR discomfort risk is lower, risk escalation is more gradual and shows greater sensitivity to event duration. These findings offer a data-driven quantification of comfort risk across diverse climates and building envelopes, demonstrating the need for region-specific DR scheduling and discomfort mitigation strategies tailored to local weather patterns and the performance of existing residential buildings.

Demand response↗
DOE OSTI2026

Thin Film Synthesis of SrZn2P2 with SrI2 Post-Annealing for Enhanced Crystallinity and Optoelectronic Quality

Ternary Zintl phosphides are promising light-absorbing semiconductors for thin-film optoelectronic applications, but strategies for controlling their microstructure and optoelectronic quality remain underexplored. Here, we report the synthesis of phase-pure SrZn2P2 thin films using radio-frequency co-sputtering in a PH3 + Ar atmosphere and investigate the impact of post-growth processing on their structural and optical properties. Grazing-incidence X-ray scattering and Raman spectroscopy confirm the formation of crystalline SrZn2P2 films over a finite compositional window. Optical measurements reveal clear absorption near the direct-band-gap energy (~1.8 eV) and near-band-edge photoluminescence. Further, we have studied the effects of chemically compatible halide-assisted annealing. It is found that SrI2 treatments lead to pronounced grain growth and reduced diffraction peak broadening while preserving phase purity, in contrast to rapid thermal or forming-gas annealing. Notably, annealing with SrI2 at 450 degrees C significantly enhances both the intensity and spatial uniformity of the photoluminescence, thus connecting the observed microstructural consolidation with improved radiative recombination. Our study demonstrates that halide-assisted annealing provides an effective pathway for microstructural control in SrZn2P2 thin films and highlights a generalizable processing strategy for advancing Zintl phosphide semiconductors toward optoelectronic applications.

14 SOLAR ENERGY↗
DOE OSTI2023

A Self‐Healing System for Polydicyclopentadiene Thermosets

Self-healing offers promise for addressing structural failures, increasing lifespan, and improving durability in polymeric materials. Implementing self-healing in thermoset polymers faces significant manufacturing challenges, especially due to the elevated temperature requirements of thermoset processing. To introduce self-healing into structural thermosets, the self-healing system must be thermally stable and compatible with the thermoset chemistry. This article demonstrates a self-healing microcapsule-based system stable to frontal polymerization (FP), a rapid and energy-efficient manufacturing process with a self-propagating exothermic reaction (≈200 °C). A thermally latent Grubbs-type complex bearing two N-heterocyclic carbene ligands addresses limitations in conventional G2-based self-healing approaches. Under FP's elevated temperatures, the catalyst remains dormant until activated by a Cu(I) co-reagent, ensuring efficient polymerization of the dicyclopentadiene (DCPD) upon damage to the polyDCPD matrix. The two-part microcapsule system consists of one capsule containing the thermally latent Grubbs-type catalyst dissolved in the solvent, and another capsule containing a Cu(I) coagent blended with liquid DCPD monomer. Using the same chemistry for both matrix fabrication and healing results in strong interfaces as demonstrated by lap-shear tests. In an optimized system, the self-healing system restores the mechanical properties of the tough polyDCPD thermoset. Self-healing efficiencies greater than 90% via tapered double cantilever beam tests are observed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Leveraging Solar Thermal Energy for Net-Zero Brewing

Firestone Walker Brewing Company (FWBC), Paso Robles, California, owns a 1-million-barrel (BBL) brewery that requires up to 5 MW of process heat in form of saturated steam. Firestone Walker Brewery has set a goal of reducing carbon emissions by 50% for our 1 million BBL brewery.

Palacio, Juan [Firestone Walker Inc., Paso Robles,↗
DOE OSTI2024

Multiple Peaks and a Long Precursor in the Type IIn Supernova 2021qqp: An Energetic Explosion in a Complex Circumstellar Environment

Abstract We present optical photometry and spectroscopy of the Type IIn supernova (SN) 2021qqp. Its unusual light curve is marked by a long precursor for ≈300 days, a rapid increase in brightness for ≈60 days, and then a sharp increase of ≈1.6 mag in only a few days to a first peak ofM r ≈ −19.5 mag. The light curve then declines rapidly until it rebrightens to a second distinct peak ofM r ≈ −17.3 mag centered at ≈335 days after the first peak. The spectra are dominated by Balmer lines with a complex morphology, including a narrow component with a width of ≈1300 km s −1 (first peak) and ≈2500 km s −1 (second peak) that we associate with the circumstellar medium (CSM) and a P Cygni component with an absorption velocity of ≈8500 km s −1 (first peak) and ≈5600 km s −1 (second peak) that we associate with the SN–CSM interaction shell. Using the luminosity and velocity evolution, we construct a flexible analytical model, finding two significant mass-loss episodes with peak mass loss rates of ≈10 and ≈5M ⊙ yr −1 about 0.8 and 2 yr before explosion, respectively, with a total CSM mass of ≈2–4M ⊙ . We show that the most recent mass-loss episode could explain the precursor for the year preceding the explosion. The SN ejecta mass is constrained to be ≈5–30M ⊙ for an explosion energy of ≈(3–10) × 10 51 erg. We discuss eruptive massive stars (luminous blue variable, pulsational pair instability) and an extreme stellar merger with a compact object as possible progenitor channels.

Astronomy & Astrophysics↗
DOE OSTI2026

Design and fabrication of ion traps for low RF power dissipation

Large surface-electrode ion traps with multiple trapping regions and junctions are a natural approach to scaling trapped ion quantum computers, supporting the connectivity and ion counts necessary for complex quantum algorithms. However, a major hurdle in this scaling is on-chip power dissipation from the applied RF voltage, which increases at a rate between linear and cubic relative to trap size, depending on whether the losses are dielectric or Ohmic. Here, we present two versions of a trap with features designed to reduce both types of RF power dissipation. The first variant contains a raised RF electrode that increases the electrode–ground distance to reduce capacitance. Different DC voltage sources are demonstrated on this trap to show that technical noise before the filter remains the dominant source of voltage noise and therefore motional heating. The second variant additionally includes a method for removing dielectric from beneath the RF electrode to further reduce dielectric losses. These traps were demonstrated at room temperature with 40 Ca + ions. In conclusion, the similar heating rates and heating rate axial frequency dependencies between 2.4 and 3.0 MHz illustrate that this dielectric modification is not detrimental to trap performance.

Sterk, J. D. [Sandia National Laboratories (SNL-NM↗
DOE OSTI2026

Storing Affordability: Battery Storage as an Asset to Reduce Data Center Cost Shifts

This report examines how battery energy storage systems (BESS) can help utilities accommodate large load growth while protecting affordability for existing ratepayers. Rapid growth in electricity demand from artificial intelligence (AI) data centers is straining the U.S. grid. Furthermore, many new data centers are entering rural markets, which could offer economic benefits but may also pose implementation challenges for smaller utilities. At the same time, retail electricity prices are increasing faster than inflation, elevating customer affordability as a key challenge. While data centers have not been the primary driver of increases in residential prices to date, they have pushed wholesale energy and capacity prices higher in several markets. Fundamental utility cost-allocation principles show that data center growth can be rate-positive for existing customers only if new peak demand grows faster than the costs a utility must incur to serve it. Several factors, including a utility’s degree of wholesale market exposure, forecast uncertainty and stranded-asset risk, and tariff design can determine the outcome of load growth on retail rates. Energy storage can make several affordability contributions in the face of this landscape of uncertainty and market volatility, including deferral of higher-cost grid investments through improved utilization of existing assets and flexibility of new large loads, insulation from volatile wholesale prices through peak shaving, and reliability support to address grid risks stemming from the behavior of AI data center loads. Different potential BESS deployment pathways—utility-scale front-of-the-meter systems, aggregated small-scale storage installations, and data center-sited behind-the-meter storage—are compared against each other and against conventional capacity alternatives. This framework is intended as a conceptual resource to utilities, particularly smaller public utilities with rural service territories, who may be considering the role that energy storage can play in insulating existing ratepayers from data center cost shifts.

25 ENERGY STORAGE↗
DOE OSTI2026

Synthesis and application of thermally responsive nanofiber coatings for overtemperature monitoring

This study presents a one-pot synthesis route to organometallic nanofibers based on copper thiolate, exhibiting distinctive chemical and physical characteristics. Electron microscopy analysis of morphology and composition revealed 2-10 μm-long, 50-90 nm-diameter hollow and non-hollow fibers composed of copper, sulfur, oxygen, hydrocarbon, and chlorine. Thermogravimetric analysis showed a pronounced mass loss within 120°C-135°C. To elucidate the thermal responsive pathways, the nanofibers were characterized before and after heating. X-ray photoelectron spectroscopy indicates that an initially mixed Cu(I)/Cu(II) oxidation states transition to predominantly Cu(I) upon heating. A layer of nanofiber was coated on battery pouch foil and evaluated as a candidate thermally sensitive coating. At elevated temperature (100-130°C), nanofiber coating released volatile organic compounds, sulfide and sulfur dioxide as detected using multiple gas sensors. This thermally responsive gas release/sensing approach provides a potential large-area temperature monitoring strategy, which is particularly relevant where direct temperature measurements of individual batteries is impractical. The results established proof of concept for nanofiber-coated battery pouch foil as overtemperature warning platform that can provide alerts when surface temperatures exceed a critical threshold. More broadly, the ability to form interconnected fiber networks positions copper thiolate nanofiber coatings as promising materials for advanced applications.

Ihala Gamaralalage, Chanaka [ORNL] (ORCID:00000002↗
DOE OSTI2026

HTGR Multiphysics Application Drivers FY26 Updates

This report summarizes FY26 progress under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program's high-temperature gas-cooled reactor (HTGR) application driver work, covering a wide range of activities such as code validation and multi-physics code assessment. 1) A detailed SAM model of the High-Temperature Engineering Test Reactor (HTTR) was developed using a unique-block grouping approach, with an extended parallel thermal network method to capture block-to-block conduction and radiation heat transfer, and applied to steady-state simulations of the HTTR 30~MW and 9~MW cases. 2) In another activity, SAM's newly implemented multi-component gas flow model was validated against the Natural convection Shutdown heat removal Test Facility (NSTF) argon ingress experiment, correctly capturing the density-driven suppression and thermal recovery of natural circulation observed when argon is introduced into the air-cooled Reactor Cavity Cooling System (RCCS) loop. 3) For the OECD/NEA High Temperature Test Facility (HTTF) benchmark, we co-led the international benchmark activities as well as the OECD/NEA final benchmark report to be released at the end of this year. 4) Finally, the coupled Griffin-SAM modeling capability for pebble-bed HTGRs was advanced by verifying the Griffin neutronics solution against Serpent Monte Carlo for a realistic non-uniform temperature distribution, resolving several deficiencies in the SAM-to-Griffin temperature transfer scheme, and enabling distinct fuel kernel, moderator, and coolant temperatures for cross section feedback. These new features were demonstrated in a PBR load-following transient.

Lee, Alvin↗
DOE OSTI2026

Experimental investigation of a closed vapour box module for a divertor-like configuration in Magnum-PSI

Efficient management of extreme heat fluxes in the divertor region to extend the lifetime of the components remains a critical challenge for the realization of nuclear fusion-based power plants. Among the alternative concepts explored for the divertor region, the use of liquid metals, particularly lithium, is of interest due its ability to dissipate the incoming plasma heat flux through the vapour shielding effect (VS). In this work, we experimentally investigated a ‘closed’ configuration of a dedicated Vapour Box Module (VBM) in the linear plasma device Magnum-PSI. The goal of the experiments is to simulate the vapour box divertor environment conditions and assess its performance in terms of power mitigation and redistribution and lithium confinement. Initial testing without Li demonstrated the efficacy of a closed VBM structure in inducing detachment via neutral gas accumulation. Apertures which enabled non-condensing gas to be effectively pumped while ensuring lithium condensed on the inner surfaces were therefore added. With a lithium capillary porous structure target used, lithium is directly vaporized by the plasma, forming a dense lithium vapour cloud that interacts with the incoming plasma. This resulted in a significant reduction of the target temperature of at least 48%, together with a temperature locking effect, a phenomenon typically observed in the VS regime. Lithium vapour confinement within the VBM was strongly correlated with the wall temperature. Relatively cold walls promoted Li re-condensation and therefore improved Li confinement, although with the expected trade-off of increased hydrogenic retention on lithium-wetted surfaces. As the wall temperature increased, the confinement efficiency decreased, consistent with reduced Li re-condensation and thermally activated Li–H chemistry and remobilization at the walls. Diagnostic measurements through embedded thermocouples and calorimetry revealed that lithium vaporization and re-condensation processes also playedsignificant roles in plasma power dissipation. The results advance the case for a closed divertor chamber with direct lithium evaporation from the strike-points as a viable method to manage divertor heat fluxes in future fusion reactors.

Romano, Fabio [Dutch Institute for Fundamental Ene↗
DOE OSTI2026

Capturing Secondary Kinetic Instabilities in Three‐Dimensional Dayside Reconnection Using an Improved Gradient‐Based Closure

Magnetic reconnection is a highly dynamic process that excites a wide variety of kinetic waves and instabilities. Transverse current sheet instabilities such as the lower-hybrid drift and secondary drift-kink instabilities in particular have been shown by kinetic simulations to modify the reconnection and introduce significant turbulence and mixing to the reconnection layer. Past studies using the ten-moment fluid model to capture important kinetic physics such as the electron inertia and full representation of the pressure tensor proved advantageous to a two-fluid representation of reconnection, but the model struggled when using a local relaxation closure for the heat flux to replicate the current sheet instabilities and subsequent mixing seen in kinetic simulations. This work uses the Gkeyll software framework to perform simulations of asymmetric reconnection based on the 16 October 2015 MMS crossing of a diffusion region, the Burch event. An improved gradient-based heat flux closure is implemented, showing significant improvement in secondary kinetic instabilities that grow in the current sheet. These instabilities generate turbulence which leads to growth of secondary magnetic islands and flux ropes.

Bradshaw, K. [Princeton University, NJ (United Sta↗
DOE OSTI2024

Utilities Perspective on Protection Challenges with High IBR Penetration

Utilities have seen rapid increase in Solar, Wind, and Battery Energy Storage Resources that interconnect to their electric system through Inverters. Inverter-Based Resources (IBRs) have fault current characteristics that are unlike the fault current response of traditional rotating-machine-based generators, which is well known and repeatable. IBR’s non-traditional fault current behavior is due to the IBR control scheme, which is configured to provide a clean AC output but also protect the inverter’s sensitive power electronics devices from damage, one source of which is overcurrent. This results in low fault current magnitude, low or no negative sequence current injection, the variability of sequence component currents, the variability of voltage with respect to current angles, and the lack of inertia. The control scheme also results in a fault current response that can vary between manufactures and between models of the same manufacturer. High penetration of IBRs can adversely affect the protection schemes applied in areas with high penetration of IBRs. With the proliferation of IBRs, utilities are finding out that conventional protection schemes are not adequately equipped to protect the electric systems. This is mainly because the existing protection elements and practices have been designed based on the fault current response of conventional rotating machines. In several cases, the available literature does not provide any clear solution for the issues when the protection scheme does not operate properly near IBRs. This presentation identifies various protection challenges due to IBRs that industry is facing, from the utility perspective. Instead of facing on one issue, we are looking broadly on all the challenges that system protection has experienced with high penetration of IBRs. Based on the IBR response from various utilities during real fault events and gathering perspective from different utility SMEs via questionnaire, the presentation summarizes on gathered data and internal experiences.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Graphitization of banana peel – synergistic effect of Ca and other elements of the biomass on carbon structure transformation

Recently, growing interest has been observed in using calcium as an effective catalyst for graphitizing disordered carbon materials derived from biomass and bioprecursors, such as cellulose and lignin, at relatively low tem peratures (<2000 °C). Herein, it is demonstrated that in the presence of elements such as calcium, silicon, sulfur, and potassium, which are abundant in banana peel composed of cellulose and lignin base, graphitization occurs much more effectively. The addition of external calcium source, in the form of calcium carbonate, to the banana peel-derived carbon and heat-treatment of the mixture under protective atmosphere up to 1750 °C results in a significant increase in the degree of the graphitization order and local formation of graphite crystals, whereas the same preparation and heat-treatment procedure applied to carbon material derived from pristine cellulose does not lead to such effective graphitization. It is indicated that the graphitization of banana peel carbon occurs due to the synergistic effect of the external Ca-based catalyst and the internal elements present in the raw biomass, supporting the transformation of the disordered graphene-like layers into graphitic structures. These findings are important for the future production of green graphite from biomass

09 BIOMASS FUELS↗
DOE OSTI2025

32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery

Abstract Large language models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 32 total projects developed during the second annual LLM hackathon for applications in materials science and chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Computer Science↗