Publications

Goff, J.M., Sievers, C., Wood, M.A., Thompson, A.P., & 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., & 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., & 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., & 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., & 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., & 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

Naugle, A.B., Verzi, S.J., Lakkaraju, K., Swiler, L.P., Warrender, C.E., Bernard, M., Romero, V.J., & 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

Adler, J.H., He, Y., Hu, X., MacLachlan, S., Ohm, P., & 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., & 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., & 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

Wang, F., Teeter, C.M., & 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

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., & 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

Foulk, J.W., Sun, J., Liu, D., Wang, Y., Wildey, T., & 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., Bond, S.D., Cyr, E.C., Miller, S.T., & Miller, S.T. (2022). Neural-network based collision operators for the Boltzmann equation. Journal of Computational Physics, 470. 10.1016/j.jcp.2022.111541

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

Roberts, N.V., Munoz-Matute, J., Demkowicz, L., & 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., & Stafford, D. (2022). EMPIRE User Manual. 10.2172/1900358

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

Brooks, D.M., Swiler, L.P., Stein, E., Mariner, P., Basurto, E., Portone, T., Eckert, A., Leone, R.C., & 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

Naugle, A.B., Rothganger, F., Verzi, S.J., Doyle, C.L., & 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., & Cangi, A. (2022). Predicting the Electronic Structure of Matter on Ultra-Large Scales. 10.2172/1895024

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

Eldred, C., Brachet, M., Debreu, L., & 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

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

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