Publications

Cole-Filipiak, N.C., Knepper, R.A., Wood, M.A., & Ramasesha, K. (2021). Mode-Selective Vibrational Energy Transfer Dynamics in 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) Thin Films. Journal of Physical Chemistry A, 125(36), pp. 7788-7802. 10.1021/acs.jpca.1c04800

Xu, X., Glusa, C., D'Elia, M., & Foster, J.E. (2021). A FETI approach to domain decomposition for meshfree discretizations of nonlocal problems. Computer Methods in Applied Mechanics and Engineering, 387. 10.1016/j.cma.2021.114148

Mariner, P., Berg, T.M., Debusschere, B., Eckert, A., Harvey, J.A., Laforce, T.C., Leone, R.C., Mills, M.M., Nole, M.A., Park, H.D., Perry, F.V., Seidl, D.T., Swiler, L.P., & Chang, K.W. (2021). GDSA Framework Development and Process Model Integration FY2021. 10.2172/1825056

Seidl, D.T., Jones, E.M.C., & Lester, B.T. (2021). Comprehensive Material Characterization and Simultaneous Model Calibration for Improved Computational Simulation Credibility. 10.2172/1820000

Mamaluy, D., Mendez Granado, J.P., Gao, X., & Misra, S. (2021). Revealing quantum effects in highly conductive δ-layer systems. Communications Physics, 4(1). https://doi.org/10.1038/s42005-021-00705-1

D'Elia, M., Silling, S., You, H., Yu, Y., & Fermen-Coker, M. (2021). Peridynamic Model for Single-Layer Graphene Obtained from Coarse Grained Bond Forces. 10.2172/1819404

Jalving, J.H. (2021). Graph-Based Modeling and Optimization using Plasmo.jl [Conference Presentation]. 10.2172/1886766

Ibanez-Granados, D.A. (2021). Why We Do Not Use Kokkos [Presentation]. https://www.osti.gov/biblio/1886526

Seidl, D.T., & Jakeman, J.D. (2021). Improving Digital Twins by Learning from a Fleet of Assets [Conference Presentation]. 10.2172/1889023

Staid, A. (2021). Long-Term Climate Hazard Risk Assessment to Infrastructure Assets for Decision-Making [Presentation]. https://www.osti.gov/biblio/1887346

Nichol, J. (2021). Causal Discovery for Climate Science and the Energy Exascale Earth System Model [Conference Presentation]. 10.2172/1888951

Leonard, F., Teeter, C.M., & Vineyard, C.M. (2021). Physics-Based Optical Neuromorphic Classification. 10.2172/1887643

Talin, A.A., Ellis, S., Bartelt, N.C., Leonard, F., Perez, C., Celio, K., Fuller, E.J., Hughart, D.R., Garland, D., Marinella, M., Michael, J.R., Chandler, D., Young, S.M., Smith, S., & Kumar, S. (2021). Thermal Infrared Detectors: expanding performance limits using ultrafast electron microscopy. 10.2172/1821971

Bretz-Sullivan, T.M., Brickson, M.I., Foster, N.D., Hutchins-Delgado, T.A., Lewis, R.M., Lu, T.M., Miller, A.J., Srinivasa, V., Tracy, L.A., Wanke, M.C., & Luhman, D.R. (2021). Leveraging Spin-Orbit Coupling in Ge/SiGe Heterostructures for Quantum Information Transfer. 10.2172/1820237

Yoon, H., Verzi, S.J., Cauthen, K.R., Musuvathy, S.S., Melander, D., Norland, K., Morales, A.M., Lee, J., & Sun, A. (2021). Predictive Data-driven Platform for Subsurface Energy Production. 10.2172/1821788

Mitchell, S.A. (2021). Computing Geometry as a Mathematician in an Engineering Laboratory [Presentation]. https://www.osti.gov/biblio/1888464

Jackson, N.D., Gunda, T., Staid, A., & Gilletly, S.D. (2021). Extreme Weather Impacts on Energy Generation [Presentation]. https://www.osti.gov/biblio/1888642

Nielsen, E., Rudinger, K.M., Proctor, T.J., Young, K., & Blume-Kohout, R. (2021). Efficient flexible characterization of quantum processors with nested error models. New Journal of Physics, 23(9). 10.1088/1367-2630/ac20b9

Paskaleva, B.S., Shitole, V., Rosenbaum, E., Hanson, J.M., Yang, A., & Kuberry, P. (2021). Data-Driven Compact Modeling of Bipolar Junction Transistors with Recurrent Neural Networks [Conference Presentation]. 10.2172/1888718

Trott, C.R. (2021). The Manycore Revolution: An Eyewitness Account [Presentation]. https://www.osti.gov/biblio/1888688

Berger-Vergiat, L. (2021). Kokkos Ecosystem: runtime, math library, tools [Presentation]. https://www.osti.gov/biblio/1886770

Parekh, O.D., & Thompson, K. (2021). Beating random assignment for approximating quantum 2-local hamiltonian problems [Conference Presentation]. Leibniz International Proceedings in Informatics, LIPIcs. 10.2172/1884207

Aaziz, O.R., Allan, B.A., Brandt, J.M., Cook, J., Devine, K., Elliott, J., Gentile, A.C., Hammond, S., Kelley, B.M., Lopatina, L., Moore, S.G., Olivier, S.L., Foulk, J.W., Poliakoff, D., Pawlowski, R., Regier, P., Schmitz, M.E., Schwaller, B., Surjadidjaja, V., … Walton, S.P. (2021). Integrated System and Application Continuous Performance Monitoring and Analysis Capability. https://doi.org/10.2172/1819812

Raybourn, E.M., Milewicz, R.M., & Mundt, M.R. (2021). Incentivizing Adoption of Software Quality Practices. 10.2172/1845193

Landahl, A.J., Russo, A.E., van der Wall, J.W., Rudinger, K.M., Maupin, O., Lobser, D., Chow, M.N.H., Morrison, B., & Clark, S.M. (2021). Jaqal Webinar to Round 2 Users [Presentation]. https://www.osti.gov/biblio/1889603

Stewart, J. (2021). Data-Driven Modeling and the Big Data Problems [Conference Presentation]. 10.2172/1888961

Schultz, P.A., Edwards, A.H., & Mounce, A.M. (2021). Toward predictive simulations of candidate color centers in wide band gap semiconductors [Conference Presentation]. 10.2172/1887043

Silling, S. (2021). Propagation of a Stress Pulse in a Heterogeneous Elastic Bar. Journal of Peridynamics and Nonlocal Modeling, 3(3), pp. 255-275. 10.1007/s42102-020-00048-5

Boyce, B.L., Garland, A., White, B.C., Jared, B.H., Conway, K., Adstedt, K., Dingreville, R., Robbins, J., Walsh, T., Alvis, T., Branch, B.A., Kaehr, B.J., Kunka, C., & Leathe, N.S. (2021). Multimode Metastructures: Novel Hybrid 3D Lattice Topologies. 10.2172/1819411

Pinar, A., Tarman, T.D., Swiler, L.P., Gearhart, J.L., Hart, D., Vugrin, E., Cruz, G.J., Arguello, B., Geraci, G., Debusschere, B., Hanson, S.T., Outkin, A.V., Thorpe, J.E., Hart, W.E., Sahakian, M.A., Gabert, K.G., Glatter, C., Johnson, E.S., & Punla-Green, S. (2021). Science and Engineering of Cybersecurity by Uncertainty quantification and Rigorous Experimentation (SECURE) (Final Report). 10.2172/1821322

Gilman, K., & Phipps, E.T. (2021). Majorize-Minimize Algorithms for Streaming Generalized Canonical Polyadic Tensor Decompositions [Presentation]. https://www.osti.gov/biblio/1888690

Rodriguez, J., Parker, R., Laird, C., Nicholson, B.L., Siirola, J.D., & Bynum, M.L. (2021). Scalable Parallel Nonlinear Optimization with PyNumero and Parapint. Optimization Online Repository. https://www.osti.gov/biblio/1834337

Kononov, A., Hentschel, T., Baczewski, A.D., & Hansen, S.B. (2021). Bound-bound features in x-ray Thomson scattering signals [Conference Presentation]. 10.2172/1888416

Swiler, L.P., Becker, D., Brooks, D.M., Govaerts, J., Koskinen, L., Plischke, E., Rohlig, K., Saveleva, E., Spiessl, S.M., Stein, E., & Svitelman, V. (2021). Sensitivity Analysis Comparisons on Geologic Case Studies: An International Collaboration. 10.2172/1822591

Arguello, B., Gearhart, J.L., Johnson, E.S., Phillips, C.A., Dey, S., & Eckstein, J. (2021). Trilevel Programming for Network Segmentation of Power System Cyber-Physical System [Conference Presentation]. 10.2172/1890371

Jakeman, J.D., Kouri, D.P., & Huerta, J.G. (2021). Surrogate Modeling For Efficiently, Accurately and Conservatively Estimating Measures of Risk [Conference Presentation]. 10.2172/1889571

Garg, R., Qin, E., Martinez, F.M., Guirado, R., Jain, A., Abadal, S., Abellan, J.L., Acacio, M.E., Alarcon, E., Rajamanickam, S., & Krishna, T. (2021). Understanding the Design Space of Sparse/Dense Multiphase Dataflows for Mapping Graph Neural Networks on Spatial Accelerators. 10.2172/1821960

Aimone, J.B., & Safonov, A. (2021). Mapping Stochastic Devices to Probabilistic Algorithms. 10.2172/1821523

Hart, J.L., & van Bloemen Waanders, B. (2021). Hyper-differential sensitivity analysis for model form error [Conference Presentation]. 10.2172/1890383

Trott, C.R. (2021). Kokkos: An Overview [Presentation]. https://www.osti.gov/biblio/1888461

Baczewski, A.D., Kononov, A., Hentschel, T., & Hansen, S.B. (2021). Electronic stopping in warm dense matter using Ehrenfest dynamics and time-dependent density functional theory [Conference Poster]. 10.2172/1888720

Morrow, Z.B., van Bloemen Waanders, B., & Jakeman, J.D. (2021). Characterizing Approximation Methods for Digital Twins in Scientific Computing [Conference Presentation]. 10.2172/1889008

White, R.D., Jakeman, J.D., van Bloemen Waanders, B., Kouri, D.P., & Alexanderian, A. (2021). Exploring risk-averse design criteria for sequential optimal experimental design in a Bayesian setting [Conference Presentation]. 10.2172/1888463

Thorpe, J.E., Musuvathy, S.S., Verzi, S.J., Vugrin, E., Dykstra, M., & Sahakian, M.A. (2021). GAMVT: A Generative Algorithm for MultiVariate Timeseries Data [Conference Paper]. https://www.osti.gov/biblio/1886761

Trask, N.A. (2021). Discovery of structure-preserving finite element spaces for multiscale [Conference Presentation]. 10.2172/1889342

Acer, S., Boman, E.G., Glusa, C., & Rajamanickam, S. (2021). Sphynx: A parallel multi-GPU graph partitioner for distributed-memory systems [Conference Presentation]. Parallel Computing. 10.2172/1853867

Parks, M.L. (2021). On Neumann-type Boundary Conditions for Nonlocal Models [Conference Presentation]. 10.2172/1889347

Trask, N.A., D'Elia, M., Littlewood, D.J., Silling, S., Trageser, J., & Tupek, M.R. (2021). ASCEND: Asymptotically compatible strong form foundations for nonlocal discretization. 10.2172/1820006

He, Q., & Perego, M. (2021). Modeling land ice with deep operator networks [Conference Presentation]. 10.2172/1888409

Blume-Kohout, R. (2021). Whither QCVV [Presentation]. https://www.osti.gov/biblio/1888713