Computational Science

2024

The Pele Simulation Suite for Reacting Flows at Exascale

Henry de Frahan, M., Esclapez, L., Rood, J., Wimer, N., Mullowney, P., Perry, B., Owen, L., Sitaraman, H., Yellapantula, S., Hassanaly, M., Rahimi, M., Martin, M., Doronina, O., A., S., Reith, M., Ge, W., Sankaran, R., Almgren, A., Zhang, W. & Bell, J. & 3 others, Grout, R., Day, M. & Chen, J., 2024, p. 13-25. 13 p.

Research output: Contribution to conference › Paper

Thermal Diffusion, Exhaust Gas Recirculation and Blending Effects on Lean Premixed Hydrogen Flames: Article No. 105429

Howarth, T., Day, M., Pitsch, H. & Aspden, A., 2024, In: Proceedings of the Combustion Institute. 40, 1-4, 7 p.

Research output: Contribution to journal › Article › peer-review

1 Scopus Citations

Toward High-Throughput Deposition of III-V Materials and Devices Using Halide Vapor Phase Epitaxy: Paper No. 1288102

Ptak, A. J., Hassanaly, M., Udwary, K., Leach, J. H., Dodson, G., Splawn, H., Schulte, K. L. & Simon, J., 2024. 5 p.

Research output: Contribution to conference › Paper

Toward High-Throughput Deposition of III-V Materials and Devices Using Halide Vapor Phase Epitaxy: Preprint

Ptak, A., Hassanaly, M., Udwary, K., Leach, J., Dodson, G., Splawn, H., Schulte, K. & Simon, J., 2024. 8 p.

Research output: Contribution to conference › Paper

Toward Improving the Generation Quality of Autoregressive Slot VAEs

Emami, P., He, P., Ranka, S. & Rangarajan, A., 2024, In: Neural Computation. 36, 5, p. 858-896 39 p.

Research output: Contribution to journal › Article › peer-review

Traffic Signal Control for Large-Scale Urban Traffic Networks: Real-World Experiments using Vision-Based Sensors

Park, J., Liu, T., Wang, C., Wang, H., Wang, Q. & Jiang, Z.-P., 2024. 6 p.

Research output: Contribution to conference › Paper

Transportation Electrification Impact Study (TEIS)

Wood, E., Borlaug, B., McKenna, K., Keen, J., Liu, B., Narang, D., Kiboma, L., Ge, Y., Liu, Z., Yang, F., Sun, J., Ouren, F., Wang, B. & Hong, W., 2024, 40 p.

Research output: NREL › Presentation

Uncertainty Visualization Challenges in Decision Systems with Ensemble Data & Surrogate Models: Preprint

Molnar, S., Laurence-Chasen, J. D., Duan, Y., Bessac, J. & Potter, K., 2024. 8 p.

Research output: Contribution to conference › Paper

Using Computer Simulations to Optimize Biofuel Production

Branchaw, L., 2024, 20 p.

Research output: NREL › Presentation

Using Intrusive Approaches As a Step Towards Accounting for Stochasticity in Wind Turbine Design: Article No. 082001

Branlard, E., Frontin, C., Maack, J. & Laird, D., 2024, In: Journal of Physics: Conference Series. 2767, 8, 12 p.

Research output: Contribution to journal › Article › peer-review

Using Parameter Sweep in WaterTAP to Analyze New Water Treatment Technologies

Panda, K., Knueven, B., Young, E., Helman, S., Allen, J. & Dudchenko, A., 2024, 31 p.

Research output: NREL › Technical Report

When and Where Lithium Plating Occurs, Its Correlation with Microstructure Heterogeneity, and the Mechanisms That Initiate and Self-Regulate Electrochemical Heterogeneity (A02-0444)

Usseglio-Viretta, F., Colclasure, A., Allen, J., Finegan, D., Graf, P. & Smith, K., 2024, National Renewable Energy Laboratory (NREL).

Research output: NREL › Poster

Wind and Structural Loads Data Measured on Parabolic Trough Solar Collectors at an Operational Power Plant: Article No. 98

Egerer, U., Dana, S., Jager, D., Xia, G., Stanislawski, B. & Yellapantula, S., 2024, In: Scientific Data. 11, 15 p.

Research output: Contribution to journal › Article › peer-review

1 Scopus Citations

2023

..phi..-Sensitivity of Gasoline/Oxygenate Blends in an Advanced Compression Ignition Engine

Martin, J., Ratcliff, M., Rahimi, M., Burton, J., Sindler, P., Hays, C. & McCormick, R., 2023, In: Energy and Fuels. 37, 16, p. 12243-12258 16 p.

Research output: Contribution to journal › Article › peer-review

2023 JISEA Annual Meeting: JISEA Catalyzer Spotlight - Energy and Atmospheric Systems Catalyzer

Heath, G. & Martin, M., 2023, 32 p.

Research output: NREL › Presentation

21-Year Modeled Spatiotemporal Low-Level Jet Climatology Along the U.S. Mid-Atlantic Coast

Kumler, A., Lundquist, J., Bodini, N., Mohan, P. & Krishnamurthy, R., 2023, 29 p.

Research output: NREL › Presentation

23 CFR 680.112 Data Requirement Memo

NREL, 2023, 2 p. National Renewable Energy Laboratory (NREL).

Research output: NREL › Fact Sheet

A Baseline for Ensemble-Based, Time-Resolved Inflow Reconstruction for a Single Turbine Using Large-Eddy Simulations and Latent Diffusion Models

Rybchuk, A., Martinez-Tossas, L., Hamilton, N., Doubrawa, P., Vijayakumar, G., Hassanaly, M., Kuhn, M. & Zalkind, D., 2023, In: Journal of Physics: Conference Series. 2505, 1, 10 p., Article No. 012018.

Research output: Contribution to journal › Article › peer-review

Open Access

1 Scopus Citations

Accelerated Stress Testing of Perovskite Photovoltaic Modules: Differentiating Degradation Modes with Electroluminescence Imaging: Article No. 2300229

Schall, J., Glaws, A., Doumon, N., Silverman, T., Owen-Bellini, M., Terwilliger, K., Uddin, M. A., Rana, P., Berry, J., Huang, J., Schelhas, L. & Kern, D., 2023, In: Solar RRL. 7, 14, 10 p.

Research output: Contribution to journal › Article › peer-review

7 Scopus Citations

Accurate Prediction of HSE06 Band Structures for a Diverse Set of Materials Using ..delta..-Learning

Adhikari, S., Clary, J., Sundararaman, R., Musgrave, C., Vigil-Fowler, D. & Sutton, C., 2023, In: Chemistry of Materials. 35, 20, p. 8397-8405 9 p.

Research output: Contribution to journal › Article › peer-review

3 Scopus Citations

Adaptive Computing and Multi-Fidelity Strategies for Control, Design and Scale-Up of Renewable Energy Applications

Day, M. & Vaidhynathan, D., 2023, 42 p.

Research output: NREL › Presentation

Adaptive Mesh Refinement Simulations for Turbulent Reacting Flow

Day, M., Henry de Frahan, M., Rood, J., Wimer, N., Perry, B., Sitaraman, H., Yellapantula, S., Esclapez, L. & Appukuttan, S., 2023, 16 p.

Research output: NREL › Presentation

Addressing Data Center Cooling Needs through the Use of Subsurface Thermal Energy Storage Systems

Zhang, Y., Acero-Allard, D., Atkinson, T., Beckers, K., Dobson, P., Jin, W., Lei, N., Oh, H., Peng, P., Sartor, D. & Sickinger, D., 2023.

Research output: Contribution to conference › Paper › peer-review

1 Scopus Citations

Adsorption Site Screening on a PGM-Free Electrocatalyst: Insights from Grand Canonical Density Functional Theory

Clary, J. & Vigil-Fowler, D., 2023, In: Journal of Physical Chemistry C. 127, 33, p. 16405-16413 9 p.

Research output: Contribution to journal › Article › peer-review

3 Scopus Citations

Advanced Computing Annual Report 2022

NREL, 2023, 74 p. National Renewable Energy Laboratory (NREL).

Research output: NREL › Brochure

Advanced Permanent Magnet Generator Topologies Using Multimaterial Shape Optimization and 3D Printing

Sethuraman, L., Glaws, A., Skinner, M. & Paranthaman, M., 2023. 8 p.

Research output: Contribution to conference › Paper

Advanced Permanent Magnet Generator Topologies Using Multimaterial Shape Optimization and 3D Printing

Sethuraman, L., Glaws, A., Skinner, M. & Paranthaman, P., 2023, 19 p.

Research output: NREL › Presentation

Advanced Visualization for Scientific Data Analysis and Insight

Gruchalla, K., 2023, 45 p.

Research output: NREL › Presentation

Aerodynamic Sensitivity of a Novel Data-Driven Airfoil Shape Representation Framework

Doronina, O., Lee, B., Grey, Z. & Glaws, A., 2023, National Renewable Energy Laboratory (NREL).

Research output: NREL › Poster

A Lattice Boltzmann Method for Predicting Porous Transport Layer Performance During Electrolysis

Young, E., Sojitra, A., Wrubel, J. & Henry de Frahan, M., 2023, 16 p.

Research output: NREL › Presentation

Alternatives to Contour Visualizations for Power Systems Data

Lyons-Galante, I., Karimzadeh, M., Molnar, S., Johnson, G. & Gruchalla, K., 2023, p. 11-15. 5 p.

Research output: Contribution to conference › Paper

Alternatives to Contour Visualizations for Power Systems Data

Lyons-Galante, I., Karimzadeh, M., Molnar, S., Johnson, G. & Gruchalla, K., 2023, 13 p.

Research output: NREL › Presentation

An Open-Source Parallel EMT Simulation Framework: Preprint

Xiong, M., Wang, B., Vaidhynathan, D., Maack, J., Reynolds, M., Hoke, A., Sun, K., Ramasubramanian, D., Verma, V. & Tan, J., 2023. 11 p.

Research output: Contribution to conference › Paper

A Parallel Hub-and-Spoke System for Large-Scale Scenario-Based Optimization Under Uncertainty

Knueven, B., Mildebrath, D., Muir, C., Siirola, J., Watson, J.-P. & Woodruff, D., 2023, In: Mathematical Programming Computation. 15, 4, p. 591-619 29 p.

Research output: Contribution to journal › Article › peer-review

7 Scopus Citations

A Reacting Multiphase Computational Flow Model for 2,3-Butanediol Synthesis in Industrial-Scale Bioreactors

Sitaraman, H., Lischeske, J., Lu, Y. & Stickel, J., 2023, In: Chemical Engineering Research and Design. 197, p. 38-52 15 p.

Research output: Contribution to journal › Article › peer-review

Assessing the Optical Performance Impact of Tracking Error in an Operational Concentrated Solar Power Plant Using Monte Carlo Ray-Tracing Simulation

Stanislawski, B., Wagner, M., Egerer, U., Dana, S., Sharma, A. & Yellapantula, S., 2023, 34 p.

Research output: NREL › Presentation

A Universal Velocity Transformation for Boundary Layers with Pressure Gradients: Article No. A3

Chen, P., Wu, W., Griffin, K., Shi, Y. & Yang, X., 2023, In: Journal of Fluid Mechanics. 970, 20 p.

Research output: Contribution to journal › Article › peer-review

3 Scopus Citations

Automated Design-for-Reliability of a Power Electronics Module

Paret, P., Glaws, A., Moreno, G., Major, J., Khan, F. & Narumanchi, S., 2023. 6 p.

Research output: Contribution to conference › Paper › peer-review

2 Scopus Citations

Automated Detection of Symmetry-Protected Subspaces in Quantum Simulations: Article No. 033082

Rotello, C., Jones, E., Graf, P. & Kapit, E., 2023, In: Physical Review Research. 5, 3, 22 p.

Research output: Contribution to journal › Article › peer-review

Autonomy Loops for Monitoring, Operational Data Analytics, Feedback, and Response in HPC Operations

Boito, F., Brandt, J., Cardellini, V., Carns, P., Ciorba, F., Egan, H., Eleliemy, A., Gentile, A., Gruber, T., Hanson, J., Haus, U.-U., Huck, K., Ilshe, T., Jakobsche, T., Jones, T., Karlsson, S., Mueen, A., Ott, M., Patki, T. & Peng, I. & 7 others, Raghavan, K., Simms, S., Shoga, K., Showerman, M., Tiwari, D., Wilde, T. & Yamamoto, K., 2023. 7 p.

Research output: Contribution to conference › Paper