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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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At least 451 records · Page 25

Customized open source renewable energy models validated through PHIL lab experiments

Energy models for power systems require ongoing updates to reflect advancements in equipment technology and the increasing complexity of power electronic devices. This study utilizes a Power Hardware-in-the-Loop (PHIL) experimental setup to validate custom photovoltaic (PV) inverter models, aiming to enhance and expedite the development of advanced renewable energy models. The research compares the performance of a physical inverter with generic Renewable Energy Source (RES) models recommended by the Western Electricity Coordinating Council (WECC). As inverter-based renewable energy sources become more prevalent in modern electrical grids, it is crucial that dynamic models accurately represent their real-world behavior. Accurate models improve our understanding of these energy resources and their interactions with the grid. The proposed model enhancements are designed to better reflect real inverter performance, based on insights from PHIL experiments. These models are developed using the open source Modelica language and the OpenIPSL Modelica Library, allowing integration across various simulation tools without re-implementation. The paper concludes with a thorough assessment, comparing the enhanced models with PHIL experiments on a real PV inverter in a controlled laboratory setting. As a result, the study provides the enhanced WECC RES models and validation data as open source resources, facilitating further research and development.

Modelica↗

Incorporating energy justice and equity objectives in power system models

Ensuring an equitable energy transition requires models and tools that can account for equity and energy justice goals. Power system models (PSMs) are widely used throughout industry, government, and academia to simulate or optimize the operations and planning of current and future electricity systems under different scenarios, parameter assumptions and policy frameworks. These models are important tools that allow users to understand how the power system may evolve under different future conditions, but importantly, they are also used to inform policy implementation and investment decisions across all aspects of the power system. However, existing models seldom include energy justice considerations and therefore energy justice priorities are not reflected in the policies and other decision-making processes that are informed by these models. The purpose of this review is to provide a framework that energy modelers can draw upon to integrate energy justice and equity goals into PSMs. To this end, 99 papers that examine the intersection of energy justice and power system models are summarized and ten core aspects of the power system that can impact energy justice outcomes, and therefore require new modeling approaches, are identified. This review then establishes key current practices, challenges, and opportunities associated with capturing energy justice considerations in power system models across these ten aspects. This review concludes by proposing four key research directions that should be pursued to improve the representation of energy justice and equity in power system modeling. Finally, this review also addresses challenges raised by United Nations Sustainable Development Goal 7, which aims to ensure affordable energy access to everyone and Sustainable Development Goal 13, which aims to take urgent action to address climate change.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Assessing the behavioral realism of energy system models in light of the consumer adoption literature

Effective policymaking to achieve net zero greenhouse gas emissions demands an understanding of the complex drivers of, and barriers to, consumer adoption behavior via behaviorally realistic energy system models. Existing models tend to oversimplify by focusing on homogenized financial factors while neglecting consumer heterogeneity and non-monetary influences. This study develops and applies a comprehensive framework for evaluating the behavioral realism of consumer adoption models, informed by the adoption literature. It introduces a typology for factors influencing low-carbon technology adoption decisions: monetary and non-monetary factors relating to household characteristics, psychology, technological attributes, and contextual conditions. Next, reviews of the consumer adoption and decision-making literature identify the most influential adoption factor categories for distributed solar photovoltaics, electric vehicles, and air-source heat pumps. Finally, the extent to which a selection of energy system models accounts for these adoption factors is assessed. Existing models predominantly emphasize the economic aspects of technology, which are generally identified as the most important factors. Where the models fall short — in considering moderately important factor categories — sector-specific and agent-based models can offer more behaviorally realistic insights. This study sheds light on which types of factors are most important for consumer adoption decisions and investigates how well current models rise to the challenge of behavioral realism. The end-to-end analysis presented enables internally consistent comparisons across models and energy technologies. This research advances timely conversations on consumer adoption. It could inform more behaviorally realistic energy system modeling, and thereby more effective decarbonization policymaking.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Systematic Benchmarking of Climate Models: Methodologies, Applications, and New Directions

As climate models become increasingly complex, there is a growing need to comprehensively and systematically assess model performance with respect to observations. Given the increasing number and diversity of climate model simulations in use, the community has moved beyond simple model intercomparison and toward developing methods capable of benchmarking a large number of simulations against a suite of climate metrics. Here, we present a detailed review of evaluation and benchmarking methods and approaches developed in the last decade, focusing primarily on scientific implications for Coupled Model Intercomparison Project (CMIP) simulations and CMIP6 results that contributed to the Intergovernmental Panel on Climate Change (IPCC) Sixth Assessment Report (AR6). Based on this review, we explain the resulting contemporary philosophy of model benchmarking, and provide clear distinctions and definitions of the terms model verification, process validation, evaluation, and benchmarking. While significant progress has been made in model development based on systematic evaluation and benchmarking efforts, some climate system biases still remain. The development of open‐source community software packages has played a fundamental role in identifying areas of significant model improvement and bias reduction. We review the key features of several software packages that have been commonly used over the past decade to evaluate and benchmark global and regional climate models. Additionally, we discuss best practices for the selection of evaluation and benchmarking metrics and for interpreting the obtained results, the importance of selecting suitable sources of reference data and accurate uncertainty quantification.

Environmental sciences↗

Machine-learned closure of URANS for stably stratified turbulence: connecting physical timescales & data hyperparameters of deep time-series models

Stably stratified turbulence (SST), a model that is representative of the turbulence found in the oceans and atmosphere, is strongly affected by fine balances between forces and becomes more anisotropic in time for decaying scenarios. Moreover, there is a limited understanding of the physical phenomena described by some of the terms in the Unsteady Reynolds-Averaged Navier–Stokes (URANS) equations—used to numerically simulate approximate solutions for such turbulent flows. Rather than attempting to model each term in URANS separately, it is attractive to explore the capability of machine learning (ML) to model groups of terms, i.e. to directly model the force balances. We develop deep time-series ML for closure modeling of the URANS equations applied to SST. We consider decaying SST which are homogeneous and stably stratified by a uniform density gradient, enabling dimensionality reduction. We consider two time-series ML models: long short-term memory and neural ordinary differential equation. Both models perform accurately and are numerically stable in a posteriori (online) tests. Furthermore, we explore the data requirements of the time-series ML models by extracting physically relevant timescales of the complex system. We find that the ratio of the timescales of the minimum information required by the ML models to accurately capture the dynamics of the SST corresponds to the Reynolds number of the flow. The current framework provides the backbone to explore the capability of such models to capture the dynamics of high-dimensional complex dynamical system like SST flows.

97 MATHEMATICS AND COMPUTING↗

Least H 2 norm updating of quadratic interpolation models for derivative-free trust-region algorithms

One particular class of derivative-free optimization algorithms is trust-region algorithms based on quadratic models given by the under-determined interpolation. Different techniques in updating the quadratic model from iteration to iteration will give different interpolation models. We propose a new way to update the quadratic model by minimizing the $H^{2}$ norm of the difference between neighboring quadratic models. The motivation for applying the $H^{2}$ norm is given. The theoretical properties of our new updating technique are also presented. We propose the projection in the sense of $H^{2}$ norm and the interpolation error analysis of our model function. We obtain the coefficients of the quadratic model function using the Karush–Kuhn–Tucker (KKT) conditions. Numerical results show the advantages of our model on the test set considered, and the derivative-free algorithms based on our least $H^{2}$ norm updating quadratic model functions can solve test problems with fewer function evaluations than the algorithm based on the least Frobenius norm updating model and the other compared methods.

derivative-free optimization↗

Power System Frequency Dynamics Modeling, State Estimation, and Control using Neural Ordinary Differential Equations (NODEs) and Soft Actor-Critic (SAC) Machine Learning Approaches

With the global energy transition of the electric power system, grid control, supervision, and protection is becoming more challenging. With the increasing integration of renewable energy sources (RES), the system dynamics are changing, causing traditional power system dynamic modeling with swing equation-based modeling approaches to fail. Additionally, the converter-dominated power grid is decreasing the system inertia, making the power system more fragile to the frequency swings. This paper first investigates and compares the application of a model-based Kalman filter state estimation approach with (i) a model-free machine learning approach --- neural ordinary differential equations (NODEs) --- and (ii) a data-driven system identification (SysId) approach to model and infer critical state values of the power system frequency dynamics. Then a model predictive control (MPC) framework is compared to a model-free Soft Actor-Critic (SAC) reinforcement learning (RL) control algorithm in providing efficient fast frequency response (FFR) to the power system frequency dynamics. The approaches are compared in terms of their performance goals as well as their per-timestep computational efficiency. Furthermore, the comparative study for state estimation shows that for the model-free requirement, both NODEs and SysId can provide accurate state estimates; however, with increasing model complexity, NODEs can be a better choice for model identification. Similarly, the results from the FFR comparative study show that the SAC RL-based FFR, once trained, outperforms MPC with better control signals and faster computation time, making the SAC RL-based FFR better option for providing FFR to the power system.

97 MATHEMATICS AND COMPUTING↗

TCAD-Machine Learning Enabled TID Compact Model Development for Commercial SiC MOSFET

We propose a TCAD (Technology Computer Aided Design)-machine learning coupled approach that combines a TCAD tool (Charon), optimization/uncertainty quantification tool (Dakota), surrogate models, and Bayesian learning capabilities. The coupling approach is used for accurate modeling and calibration of total ionizing dose (TID) induced threshold voltage (V th ) shifts in Commercial-Off-The-Shelf (COTS) semiconductor devices and to develop physics-informed TID compact models. This versatile approach is applied to model the TID effect in an exemplar COTS 3.3 kV SiC power MOSFET (Metal-Oxide-Semiconductor Field-Effect Transistor). With the Charon-Dakota coupling, we can determine key device geometry and doping values based on device physics, which are difficult to obtain or not available for COTS devices but important for TCAD simulation; additionally, we can efficiently generate thousands of simulation results in a large parameter space, which makes it possible to develop data-driven surrogate models and perform Bayesian calibration. Utilizing the full tool-coupling approach, we achieve calibrated TCAD simulation models that accurately capture the average TID-induced V th shifts behavior with total doses and V th shifts saturation at high doses as observed in experimental data. More importantly, the calibrated TCAD simulations are obtained with determined TID model parameters (e.g., hole trap density and capture cross section) values that contain well quantified uncertainties. Furthermore, we can isolate and quantify the noises that are not captured by the TCAD models but exist in the measured data due to measurements and devices variabilities. Lastly, the calibrated surrogate models are used to develop physics-informed TID compact models. The method is generalizable to other devices and/or radiation conditions with few modifications and can provide well-determined uncertainties.

COTS↗

A Framework for Identifying Building Energy Models of Localized Utility Service Areas Using Smart Meter Data

Bottom-up load modeling of buildings offers a versatile approach to simulating baseline demand and scenarios of future technology evolution and adoption at the individual building level. This capability is essential to understanding how future load shapes may change with the adoption of electric equipment and vehicles, particularly as it relates to grid planning and infrastructure investments. Traditionally, grid planning techniques have used historical load data to predict future load and infrastructure needs. However, with the anticipated rise in adoption of electrification technologies such as heat pumps and electric vehicles, historical data become less reliable predictors of the future. By employing ResStock, a high-fidelity building stock modeling tool, we can fine-tune electrification scenarios and aggregate models to represent varying geographic resolutions of the grid system, while considering the underlying features of homes. This may enable a more accurate and responsive approach to anticipate and plan for the evolving landscape of energy demands. We present a new framework that leverages building stock energy modeling to identify building models that align with the load shapes and housing attributes of buildings with AMI data. This approach applies two model layers: (1) a classification step that identifies the presence of air conditioning, electric heating, and electric water heating, and (2) an optimization routine that identifies building energy models aligning with load profile data from advanced metering infrastructure meters. This report demonstrates one approach to deploying this framework, and presents results for three test cases that use both modeled and AMI data to assess performance. For a test case using AMI data in Fort Collins, Colorado, we observed a median monthly electricity load CV-RMSE of 16.6%, and a top ten daily heating and cooling median absolute percent error of 7.7% and 8.3%, respectively. For each AMI meter, we identify a set of potential energy models so that downstream use-cases can account for uncertainty driven by variability of baseline technologies and occupant behavior, which impact the response to electrification and energy efficiency scenarios. Our results indicate that ResStock has potential as a scalable solution for modeling residential energy demand at local grid resolutions. Its performance depends on location-specific factors, underlying building characteristics, and the level of aggregation, offering a path towards more precise and adaptive distribution grid planning for the evolving energy landscape.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Floating Wind Array Ontology and Modeling Framework

While there are many tools for designing and modeling a single floating turbine, array level design and modeling has much more to consider. Designing floating wind arrays requires a coupled approach considering many variables, from bathymetry to installation and maintenance to failure and risk analysis. With all of these considerations, an array-level modeling tool is needed to quickly evaluate array designs. The Floating Array Model (FAModel) tool developed at the National Renewable Energy Laboratory was created to fill this gap in low-fidelity array modeling. FAModel is a python framework created to streamline holistic low-fidelity floating wind modeling for array-level analysis. FAModel integrates site data and models with a variety of open-source modeling tools developed by NREL, including FLORIS, RAFT, MoorPy, and anchor capacity models. The integration of these tools allows users to quickly and holistically design an array by considering forces, area analysis, visualization, annual energy production, failure modeling, and component costs.

17 WIND ENERGY↗

Mesoscale Modeling for Restructuring and Fragmentation in High Burnup UO 2

This report summarizes the mesoscale modeling conducted in fiscal year 2025 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, focusing on the microstructural evolution and restructuring in high burnup UO 2 nuclear fuel and its impact on fuel fragmentation. We developed a pioneering phase-field model to simulate restructuring behavior across different regions of high burnup fuel, including the dark zone and rim region. A grand-potential-based phase-field model is employed to concurrently evaluate subgrain formation and the growth of fission gas bubbles within the fuel. An energy-based subgrain formation criterion was introduced to simulate the restructuring process. The effects of temperature and burnup rate were studied to capture how each of these parameters influences the characteristics of the restructured fuel. Subgrain formation was observed to initiate around existing fission gas bubbles and proceed toward triple junctions, grain boundaries, and grain interiors. Under a given subgrain formation rate, the rate of restructuring increases with rising fuel temperature. The restructuring occurs faster with higher burnup rate. A restructuring bias was observed within the microstructure, due to the variation in defect accumulation when comparing different grains. Microstructures corresponding to the dark zone and rim region can be obtained by parameterizing the model with the appropriate defect production rate, as determined based on the burnup rate and temperature. The predicted microstructures are consistent with experimental observations of the restructured regions. Based on the mesoscale simulations, a mechanistic model for restructuring and grain size evolution was implemented in BISON. Thus, this work provides a first-of-its-kind restructuring model for different regions of high-burnup fuel to BISON. It was shown that the model predicts appropriate grain size evolution along fuel radius as those observed in experiments. This model enables BISON to predict the effect of restructuring on the fission gas release. Finally, the phase-field fracture simulation with dark zone specific microstructures were presented to provide the fragmentation criteria for the dark zone. This work introduces a first-of-its-kind restructuring model for high burnup fuel, significantly enhancing BISON's predictive capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A multi-algorithm approach for modeling coastal wetland eco-geomorphology

Coastal wetlands play an important role in the global water and biogeochemical cycles. Climate change makes it more difficult for these ecosystems to adapt to the fluctuation in sea levels and other environmental changes. Given the importance of eco-geomorphological processes for coastal wetland resilience, many eco-geomorphology models differing in complexity and numerical schemes have been developed in recent decades. However, their divergent estimates of the response of coastal wetlands to climate change indicate that substantial structural uncertainties exist in these models. To investigate the structural uncertainty of coastal wetland eco-geomorphology models, we developed a multi-algorithm model framework of eco-geomorphological processes, such as mineral accretion and organic matter accretion, within a single hydrodynamics model. The framework is designed to explore possible ways to represent coastal wetland eco-geomorphology in Earth system models and reduce the related uncertainties in global applications. We tested this model framework at three representative coastal wetland sites: two saltmarsh wetlands (Venice Lagoon and Plum Island Estuary) and a mangrove wetland (Hunter Estuary). Through the model–data comparison, we showed the importance of using a multi-algorithm ensemble approach for more robust predictions of the evolution of coastal wetlands. We also found that more observations of mineral and organic matter accretion at different elevations of coastal wetlands and evaluation of the coastal wetland models at different sites in diverse environments can help reduce the model uncertainty.

58 GEOSCIENCES↗

Computational Fluid Dynamics-Based Modeling of Methane Flows Around Oil and Gas Equipment

Recent studies estimate that emissions from oil and gas production facilities contribute between 20 and 50% of the total methane ( CH 4 ) emitted in the US; therefore, quantifying and reducing these emissions are crucial for achieving climate goals. Methane quantification depends on both measuring methane concentrations and converting them to emissions through a modeling framework. Currently, simple atmospheric dispersion models are primarily used to quantify emissions and concentrations, but these estimates are highly uncertain when quantifying emissions from complex aerodynamic sources, such as oil and gas facilities. This investigation used a CFD modeling approach, which can account for aerodynamic complexity but has hitherto not been used to model methane concentrations downwind of a methane release of a known rate, and compared it against in situ measurements. High-time-resolution (1 Hz) methane concentration and meteorological data were measured during experiments conducted at the METEC on 21 March and 11 July 2024. The METEC site configuration, measured wind data, and controlled emission rates were used as input for the CONVERGE CFD model to model downwind CH 4 concentration. The modeling was carried out between 20 and 70 m, from two different points of release in two separate controlled-release experiments, one from a separator and another from a wellhead. In these experiments, we found that the CFD model could predict the CH 4 concentrations downwind of the release to a good degree. The model was evaluated on multiple metrics to assess its performance in estimating methane concentrations at typical fence line distances (∼30 m). These results help us to understand external flows and the ability of CFD models to predict downwind concentrations in aerodynamically complex environments.

03 NATURAL GAS↗

Streamlining Ocean Dynamics Modeling with Fourier Neural Operators: A Multiobjective Hyperparameter and Architecture Optimization Approach

Training an effective deep learning model to learn ocean processes involves careful choices of various hyperparameters. We leverage DeepHyper’s advanced search algorithms for multiobjective optimization, streamlining the development of neural networks tailored for ocean modeling. The focus is on optimizing Fourier neural operators (FNOs), a data-driven model capable of simulating complex ocean behaviors. Selecting the correct model and tuning the hyperparameters are challenging tasks, requiring much effort to ensure model accuracy. DeepHyper allows efficient exploration of hyperparameters associated with data preprocessing, FNO architecture-related hyperparameters, and various model training strategies. We aim to obtain an optimal set of hyperparameters leading to the most performant model. Moreover, on top of the commonly used mean squared error for model training, we propose adopting the negative anomaly correlation coefficient as the additional loss term to improve model performance and investigate the potential trade-off between the two terms. The numerical experiments show that the optimal set of hyperparameters enhanced model performance in single timestepping forecasting and greatly exceeded the baseline configuration in the autoregressive rollout for long-horizon forecasting up to 30 days. Utilizing DeepHyper, we demonstrate an approach to enhance the use of FNO in ocean dynamics forecasting, offering a scalable solution with improved precision.

97 MATHEMATICS AND COMPUTING↗

Evaluation of Global Fire Simulations in CMIP6 Earth System Models

Fire is the primary form of terrestrial ecosystem disturbance on a global scale and an important Earth system process. Most Earth system models (ESMs) have incorporated fire modeling, with 19 of them submitting model outputs of fire-related variables to the Coupled Model Intercomparison Project Phase 6 (CMIP6). This study provides the first comprehensive evaluation of CMIP6 historical fire simulations by comparing them with multiple satellite-based products and charcoal-based historical reconstructions. Our results show that most CMIP6 models simulate the present-day global burned area and fire carbon emissions within the range of satellite-based products. They also capture the major features of observed spatial patterns and seasonal cycles, the relationship of fires with precipitation and population density, and the influence of the El Niño–Southern Oscillation (ENSO) on the interannual variability of tropical fires. Regional fire carbon emissions simulated by the CMIP6 models from 1850 to 2010 generally align with the charcoal-based reconstructions, although there are regional mismatches, such as in southern South America and eastern temperate North America prior to the 1910s and in temperate North America, eastern boreal North America, Europe, and boreal Asia since the 1980s. The CMIP6 simulations have addressed three critical issues identified in CMIP5: (1) the simulated global burned area being less than half of that of the observations, (2) the failure to reproduce the high burned area fraction observed in Africa, and (3) the weak fire seasonal variability. Furthermore, the CMIP6 models exhibit improved accuracy in capturing the observed relationship between fires and both climatic and socioeconomic drivers and better align with the historical long-term trends indicated by charcoal-based reconstructions in most regions worldwide. However, the CMIP6 models still fail to reproduce the decline in global burned area and fire carbon emissions observed over the past 2 decades, mainly attributed to an underestimation of anthropogenic fire suppression, and the spring peak in fires in the Northern Hemisphere midlatitudes, mainly due to an underestimation of crop fires. In addition, the model underestimates the fire sensitivity to wet–dry conditions, indicating the need to improve fuel wet-ness estimation. Based on these findings, we present specific guidance for fire scheme development and suggest a postprocessing methodology for using CMIP6 multi-model outputs to generate reliable fire projection products.

Wildfire, Earth system models↗

A framework for strategic discovery of credible neural network surrogate models under uncertainty

The widespread integration of deep neural networks in developing data-driven surrogate models for high-fidelity simulations of complex physical systems highlights the critical necessity for robust uncertainty quantification techniques and credibility assessment methodologies, ensuring the reliable deployment of surrogate models in consequential decision-making. Here, this study presents the Occam Plausibility Algorithm for surrogate models (OPAL-surrogate), providing a systematic framework to uncover predictive neural network-based surrogate models within the large space of potential models, including various neural network classes and choices of architecture and hyperparameters. The framework is grounded in hierarchical Bayesian inferences and employs model validation tests to evaluate the credibility and prediction reliability of the surrogate models under uncertainty. Leveraging these principles, OPAL-surrogate introduces a systematic and efficient strategy for balancing the trade-off between model complexity, accuracy, and prediction uncertainty. The effectiveness of OPAL-surrogate is demonstrated through two modeling problems, including the deformation of porous materials for building insulation and turbulent combustion flow for ablation of solid fuels within hybrid rocket motors.

42 ENGINEERING↗

A mesoscopic link-transmission-model able to track individual vehicles

Macroscopic traffic flow is a common choice for large-scale traffic simulations. These models do not provide individual-specific metrics as outputs. However, this treatment is necessary in agent-based-models, as in, for example, assigning routes based on personal characteristics. Here, in this paper, we propose an extension of the link-transmission-model, an efficient and yet accurate discretization of the Lighthill-Whitham-Richards (LWR) model, which allow vehicles to be tracked individually while keeping the main features of the underlying model. The extension comprises modifying the link and node models to ensure that the flow between links is always at discrete levels. Therefore, every unit of flow is associated with one individual vehicle moving from its current to its next link. An upper bound of the discretization error is provided. We show that the proposed model resembles its continuous counterpart on lane drop, merge, and diverge cases. In addition, we apply the model into three different networks to validate its applicability in large networks. Finally, we also confirm the parameter transferability between continuous and discrete models and that both can well reproduce field data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Theoretical modeling of hepatitis C acute infection in liver-humanized mice support pre-clinical assessment of candidate viruses for controlled-human-infection studies

Designing and carrying out a controlled human infection (CHI) model for hepatitis C virus (HCV) is critical for vaccine development. However, key considerations for a CHI model protocol include understanding of the earliest viral-host kinetic events during the acute phase and susceptibility of the viral isolate under consideration for use in the CHI model to antiviral treatment before any infections in human volunteers can take place. Humanized mouse models lack adaptive immune responses but provide a unique opportunity to obtain quantitative understanding of early HCV kinetics and develop mathematical models to further understand viral and innate immune response dynamics during acute HCV infection. We show that the models reproduce the measured HCV kinetics in humanized mice, which are consistent with early acute HCV-host dynamics in immunocompetent chimpanzees. Our findings suggest that humanized mice are well-suited to support development of a CHI model. In-silico and in-vivo modeling estimates provide a starting point to characterize candidate viruses for testing in CHI model studies.

Agent-based modeling↗