Publications

Goff, J.M., Sievers, C., Wood, M.A., & Thompson, A.P. (2024). Permutation-adapted complete and independent basis for atomic cluster expansion descriptors. Journal of Computational Physics. 10.2172/1879613

Armstrong, E., Hansen, M.A., Knaus, R.C., Trask, N.A., Hewson, J.C., & Sutherland, J.C. (2024). Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks. Combustion Science and Technology, 196(6), pp. 850-867. 10.1080/00102202.2022.2102908

Grant, R.E., Hammond, S.D., Foulk, J.W., Levenhagen, M., Olivier, S.L., Foulk, J.W., Ward, L., & Younge, A.J. (2023). Enabling power measurement and control on Astra: The first petascale Arm supercomputer. Concurrency and Computation: Practice and Experience, 35(15). 10.1002/cpe.7303

Mitchell, S.A., Knupp, P., MacKay, S., & Deakin, M.F. (2023). Not so HOT Triangulations [Conference Presentation]. CAD Computer Aided Design. 10.2172/1873284

Naugle, A.B., Krofcheck, D.J., Warrender, C.E., Lakkaraju, K., Swiler, L.P., Verzi, S.J., Emery, B., Murdock, J., Bernard, M., & Romero, V.J. (2023). What can simulation test beds teach us about social science? Results of the ground truth program. Computational and Mathematical Organization Theory, 29(1), pp. 242-263. 10.1007/s10588-021-09349-6

Foulk, J.W., Maupin, K.A., & Rodgers, T.M. (2023). Monotonic Gaussian Process for Physics-Constrained Machine Learning With Materials Science Applications. Journal of Computing and Information Science in Engineering, 23(1). 10.1115/1.4055852

Adler, J.H., He, Y., Hu, X., MacLachlan, S., & Ohm, P. (2023). MONOLITHIC MULTIGRID FOR A REDUCED-QUADRATURE DISCRETIZATION OF POROELASTICITY. SIAM Journal on Scientific Computing, 45(3), pp. S54-S81. 10.1137/21m1429072

Demkowicz, L.F., Roberts, N.V., & Munoz-Mutate, J. (2023). The DPG Method for the Convection-Reaction Problem, Revisited. Computational Methods in Applied Mathematics, 23(1), pp. 93-125. 10.1515/cmam-2021-0149

de Castro, A., Kuberry, P., Tezaur, I.K., & Bochev, P.B. (2023). A Novel Partitioned Approach for Reduced Order Model - Finite Element Model (ROM-FEM) and ROM-ROM Coupling. Earth and Space 2022: Space Exploration, Utilization, Engineering, and Construction in Extreme Environments - Selected Papers from the 18th Biennial International Conference on Engineering, Science, Construction, and Operations in Challenging Environments. 10.1061/9780784484470.044

Naugle, A.B., Verzi, S.J., Lakkaraju, K., Swiler, L.P., Warrender, C.E., Bernard, M., & Romero, V.J. (2023). Feedback density and causal complexity of simulation model structure. Journal of Simulation, 17(3), pp. 229-239. 10.1080/17477778.2021.1982653

Wang, F., & Teeter, C.M. (2022). Combining Spike Time Dependent Plasticity (STDP) and Backpropagation (BP) for Robust and Data Efficient Spiking Neural Networks (SNN). 10.2172/1902866

Roberts, N.V., Bond, S.D., Cyr, E.C., & Miller, S.T. (2022). Neural-network based collision operators for the Boltzmann equation. Journal of Computational Physics, 470. 10.1016/j.jcp.2022.111541

Kononov, A., Lee, C.W., dos Santos, T.P., Robinson, B., Yao, Y., Yao, Y., Andrade, X., Baczewski, A.D., Constantinescu, E., Correa, A.A., Kanai, Y., Modine, N.A., & Schleife, A. (2022). Electron dynamics in extended systems within real-time time-dependent density-functional theory. MRS Communications, 12(6), pp. 1002-1014. 10.1557/s43579-022-00273-7

Jock, R.M., Jacobson, N.T., Rudolph, M., Ward, D.R., Carroll, M.S., & Luhman, D.R. (2022). A silicon singlet–triplet qubit driven by spin-valley coupling. Nature Communications, 13(1). 10.1038/s41467-022-28302-y

Foulk, J.W., Sun, J., Liu, D., Wang, Y., & Wildey, T. (2022). A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution. Journal of Computing and Information Science in Engineering, 22(6). 10.1115/1.4054237

Roberts, N.V., Munoz-Matute, J., & Demkowicz, L. (2022). Combining DPG in space with DPG time-marching scheme for the transient advection–reaction equation. Computer Methods in Applied Mechanics and Engineering, 402. 10.1016/j.cma.2022.115471

McGregor, D.A.O., Love, E., Sirajuddin, D., Swan, M.S., Collins, D.I., Pawlowski, R., Cartwright, K., & Stafford, D. (2022). EMPIRE User Manual. 10.2172/1900358

Brooks, D.M., Swiler, L.P., Stein, E., Mariner, P., Basurto, E., Portone, T., Eckert, A., & Leone, R.C. (2022). Sensitivity analysis of generic deep geologic repository with focus on spatial heterogeneity induced by stochastic fracture network generation. Advances in Water Resources, 169. 10.1016/j.advwatres.2022.104310

Mounce, A.M., Wang, G., Schultz, P.A., Titze, M., Campbell, D.M., Lu, P., & Henshaw, J.D. (2022). Development of Single Photon Sources in GaN. 10.2172/1898965

Naugle, A.B., Rothganger, F., Verzi, S.J., & Doyle, C.L. (2022). Conflicting Information and Compliance With COVID-19 Behavioral Recommendations. 10.2172/1894426

Fiedler, L., Modine, N.A., Schmerler, S., Vogel, D.J., Popoola, G.A., Thompson, A.P., Rajamanickam, S., & Cangi, A. (2022). Predicting the Electronic Structure of Matter on Ultra-Large Scales. 10.2172/1895024

Eldred, C., Guba, O., & Taylor, M.A. (2022). Thermodynamically consistent versions of approximations used in modelling moist air. Quarterly Journal of the Royal Meteorological Society, 148(748), pp. 3184-3210. https://doi.org/10.1002/qj.4353

Kononov, A., Olmstead, A., Baczewski, A.D., & Schleife, A. (2022). First-principles simulation of light-ion microscopy of graphene. 2D Materials, 9(4). 10.1088/2053-1583/ac8e7e

Branch, B.A., Ruggles, T., Miers, J.C., Massey, C.E., Moore, D.G., Brown, N., Duwal, S., Silling, S., Mitchell, J.A., & Specht, P.E. (2022). Understanding Phase and Interfacial Effects of Spall Fracture in Additively Manufactured Ti-5Al-5V-5Mo-3Cr. 10.2172/1892129

Eldred, C., Brachet, M., & Debreu, L. (2022). Comparison of exponential integrators and traditional time integration schemes for the shallow water equations. Applied Numerical Mathematics, 180, pp. 55-84. 10.1016/j.apnum.2022.05.006

Shadid, J.N. (2022). Embedded pairs for optimal explicit strong stability preserving Runge–Kutta methods. Journal of Computational and Applied Mathematics, 412. 10.1016/j.cam.2022.114325

Kordenbrock, T., Templet, G.J., Ulmer, C., & Widener, P. (2022). Viability of S3 Object Storage for the ASC Program at Sandia. 10.2172/1895203

Bidadi, S., Brazell, M., Brunhart-Lupo, N., Henry de Frahan, M.T., Lee, D.H., Hu, J.J., Melvin, J., Mullowney, P., Vijayakumar, G., Moser, R.D., Rood, J., Sakievich, P., Sharma, A., Williams, A.B., & Sprague, M.A. (2022). Demonstrate multi-turbine simulation with hybrid-structured / unstructured-moving-grid software stack running primarily on GPUs and propose improvements for successful KPP-2. 10.2172/1891592

Polonsky, A.T., Martinez, C., Appleby, C., Bernard, S.R., Griego, J.G., Noell, P., & Pathare, P.R. (2022). Super-Resolution Approaches in Three-Dimensions for Classification and Screening of Commercial-Off-The-Shelf Components. 10.2172/1890107

Cardwell, S.G., Plagge, M., Hughes, C., Rothganger, F., Agarwal, S., Feinberg, B., Awad, A., McFarland, J., & Parker, L. (2022). ATHENA: Analytical Tool for Heterogeneous Neuromorphic Architectures. 10.2172/1890038

Foulk, J.W., Wildey, T., & Lim, H. (2022). Microstructure-Sensitive Uncertainty Quantification for Crystal Plasticity Finite Element Constitutive Models Using Stochastic Collocation Methods. Frontiers in Materials, 9. 10.3389/fmats.2022.915254

Kelley, B.M., & Rajamanickam, S. (2022). Unified Language Frontend for Physic-Informed AI/ML. 10.2172/1888879

Wood, M.A., Nikolov, S.V., Rohskopf, A.D., Desjarlais, M.P., Cangi, A., & Tranchida, J. (2022). Quantum-Accurate Multiscale Modeling of Shock Hugoniots, Ramp Compression Paths, Structural and Magnetic Phase Transitions, and Transport Properties in Highly Compressed Metals. 10.2172/1898251

Chatterjee, E., Soh, D.B.S., & Young, S.M. (2022). Lossless Quantum Hard-Drive Memory Using Parity-Time Symmetry. 10.2172/1888158

D'Elia, M., Bochev, P.B., Foster, J.E., Glusa, C., Gulian, M., Gunzburger, M., Trageser, J., Kuhlman, K.L., Martinez, M., Najm, H.N., Silling, S., Tupek, M., & Xu, X. (2022). Mathematical Foundations for Nonlocal Interface Problems: Multiscale Simulations of Heterogeneous Materials (Final LDRD Report). 10.2172/1888162

Mariner, P., Debusschere, B., Fukuyama, D.E., Harvey, J.A., Laforce, T.C., Leone, R.C., Foulk, J.W., Swiler, L.P., & Taconi, A.M. (2022). GDSA Framework Development and Process Model Integration FY2022. 10.2172/1893995

Moore, S.G. (2022). Large-Scale Atomistic Simulations [Slides]. 10.2172/1888083

Mamaluy, D., & Mendez Granado, J.P. (2022). Revealing conductivity of p-type delta layer systems for novel computing applications. 10.2172/1887942

Tuminaro, R.S., Crockatt, M.M., & Robinson, A.C. (2022). Composing preconditioners for multiphysics PDE systems with applications to Generalized MHD. 10.2172/1886757

Laforce, T.C., Basurto, E., Chang, K.W., Ebeida, M., Eymold, W., Faucett, C.A., Jayne, R., Kucinski, N., Leone, R.C., Mariner, P., & Foulk, J.W. (2022). GDSA Repository Systems Analysis Investigations in FY2022. 10.2172/1898245

Mahadevan, V.S., Guerra, J.E., Jiao, X., Kuberry, P., Li, Y., Ullrich, P., Marsico, D., Jacob, R., Bochev, P.B., & Jones, P. (2022). Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol applied to Earth system models. Geoscientific Model Development, 15(17), pp. 6601-6635. https://doi.org/10.5194/gmd-15-6601-2022

Arguello, B., Stewart, N., Hoffman, M., Nicholson, B.L., Garrett, R.A., & Moog, E. (2022). Dynamics Informed Optimization for Resilient Energy Systems. 10.2172/1893998

Steyer, A.J. (2022). Computational Response Theory for Dynamics. 10.2172/1898244

Buczkowski, N.E., Foss, M.D., Parks, M.L., & Radu, P. (2022). Sensitivity Analysis for Solutions to Heterogeneous Nonlocal Systems. Theoretical and Numerical Studies. Journal of Peridynamics and Nonlocal Modeling, 4(3), pp. 367-397. 10.1007/s42102-022-00081-6

Eldred, M., Adams, B.M., Geraci, G., Portone, T., Ridgway, E.M., Stephens, J.A., & Wildey, T. (2022). Deployment of Multifidelity Uncertainty Quantification for Thermal Battery Assessment Part I: Algorithms and Single Cell Results. 10.2172/1885882

Bond, S.D., Franke, B.C., Lehoucq, R., & McKinley, S.A. (2022). Sensitivity Analyses for Monte Carlo Sampling-Based Particle Simulations. 10.2172/1889334

Lehoucq, R., Mayer, C.D., & Tucker, J.D. (2022). Entropy and its Relationship with Statistics. 10.2172/1895025

Robinson, A.C., Swan, M.S., Harvey, E.C., Klein, B., Lawson, G., Milewicz, R.M., Foulk, J.W., Schmitz, M.E., & Warnock, S.A. (2022). An introduction to developing GitLab/Jacamar runner analyst centric workflows at Sandia. 10.2172/1885645

Jakeman, J.D., Eldred, M., Geraci, G., Seidl, D.T., Smith, T.M., Gorodetsky, A.A., Pham, T., Narayan, A., Zeng, X., & Ghanem, R. (2022). Multi-fidelity information fusion and resource allocation. 10.2172/1888363

Leonard, F., Fuller, E.J., Teeter, C.M., & Vineyard, C.M. (2022). Neuromorphic Information Processing by Optical Media. 10.2172/1887939