Publications

Thompson, A.P. (2019). Molecular Dynamics Simulation: Engine of Discovery or Bridge to Nowhere? [Conference Poster]. https://www.osti.gov/biblio/1640830

Carpenter, J.H., Robinson, A.C., Debusschere, B.J., & Debusschere, B.J. (2019). Verification of Uncertainty Quantification\\for Equation of State Table [Conference Poster]. https://www.osti.gov/biblio/1640804

Alberdi, R., Dingreville, R.P.M., Robbins, J., Walsh, T., & Walsh, T. (2019). Nonlinear Topology Optimization with Microstructural Effects: A Micromorphic Approach [Conference Poster]. https://www.osti.gov/biblio/1640799

Carlberg, K.T., Lee, K., & Lee, K. (2019). Breaking Kolmogorov-width barriers using deep learning [Conference Poster]. https://www.osti.gov/biblio/1882117

Trott, C.R. (2019). Kokkos: Are We Prepared for Extreme Heterogeneity? [Conference Poster]. https://www.osti.gov/biblio/1640945

Laird, C., Nicholson, B.L., Rodriguez, J.S., & Rodriguez, J.S. (2019). Parallel Numerical Algorithms for Structured Problems with PyNumero and Pyomo [Conference Poster]. https://www.osti.gov/biblio/1640927

Safta, C., Sargsyan, K., Jakeman, J.D., Gorodetsky, A.A., Ricciuto, D., & Ricciuto, D. (2019). Exploiting Model Structure for Forward Propagation of Uncertainty in Earth System Models [Conference Poster]. https://www.osti.gov/biblio/1640926

Parks, M.L., Radu, P., & Radu, P. (2019). On Neumann-type Boundary Conditions for Nonlocal Models [Conference Poster]. https://www.osti.gov/biblio/1640998

Tuminaro, R.S., Berger-Vergiat, L., Fisher, T.C., Howard, M., Siefert, C., Brazil, M., Mavriplis, D.X., & Mavriplis, D.X. (2019). Algebraic Multigrid for Hypersonic Simulations [Conference Poster]. https://www.osti.gov/biblio/1640941

Medina, B., Moore, C.H., Bettencourt, M.T., Cartwright, K.L., Powell, T.C., Pointon, T., Phillips, E., Bell, K., Gardelle, J., Cassany, B., Modin, P., Szalek, N., Hebert, D., & Hebert, D. (2019). EMPIRE Simulation of the RKA Electron Beam [Conference Poster]. https://www.osti.gov/biblio/1640870

Hoekstra, R.J., Bachman, W.B., Hammond, S., Bachman, W.B., Younge, A.J., Lin, P.T., Vaughan, C., & Vaughan, C. (2019). Vanguard Astra - Petascale ARM Platform for U.S. DOE/ASC Supercomputing [Conference Poster]. https://www.osti.gov/biblio/1640828

Cole-Filipiak, N.C., Marquez, M.P., Knepper, R., Harmon, R.A., Wiese-Smith, D., Schrader, P., Wood, M.A., Ramasesha, K., & Ramasesha, K. (2019). Ultrafast Spectroscopic Studies of Vibrational Energy Transfer in Energetic Materials [Conference Poster]. https://www.osti.gov/biblio/1640777

Ibanez-Granados, D.A. (2019). Leveraging C++ for safe portable and performant scientific code [Presentation]. https://www.osti.gov/biblio/1645501

Eldred, M. (2019). Advanced UQ Methods in Dakota [Presentation]. https://www.osti.gov/biblio/1645509

Cassany, B., Hebert, D., Gardelle, J., Modin, P., Szalek, N., Bell, K., Moore, C.H., Medina, B., Bettencourt, M.T., & Bettencourt, M.T. (2019). PROPAGATION OF ELECTRON BEAMS IN GAS CELLS [Conference Poster]. https://www.osti.gov/biblio/1640922

Cambier, L., Chen, C., Boman, E.G., Rajamanickam, S., Tuminaro, R.S., Darve, E., & Darve, E. (2019). SpaND: An Algebraic Sparsified Nested Dissection Algorithm Using Low-Rank Approximations [Conference Poster]. https://www.osti.gov/biblio/1641027

Loe, J.A., Thornquist, H., Boman, E.G., & Boman, E.G. (2019). Polynomial Preconditioning for Avoiding Communication in GMRES [Conference Poster]. https://www.osti.gov/biblio/1641026

Gastelum, Z.N., Goldblum, B., Shead, T.M., Stewart, K., Miller, K., Luttman, A., & Luttman, A. (2019). Integrating Physical and Informational Sensing to Support Nonproliferation Assessments of Nuclear-Related Facilities [Conference Poster]. https://www.osti.gov/biblio/1641009

Curry, M.L. (2019). Successes and Challenges for Machine Learning at Sandia National Laboratories [Presentation]. https://www.osti.gov/biblio/1646472

Hammond, S., Bachman, W.B., Bachman, W.B., Younge, A.J., Vaughan, C.T., Lin, P.T., Hoekstra, R.J., & Hoekstra, R.J. (2019). Vanguard Astra Application Experience [Presentation]. https://www.osti.gov/biblio/1645510

Hart, J.L. (2019). Hyper-differential sensitivity analysis for PDE-constrained optimization: Methods and software [Conference Poster]. https://www.osti.gov/biblio/1641004

Grant, R. (2019). Intelligent NICs and Threading for MPI [Presentation]. https://www.osti.gov/biblio/1645518

Berger-Vergiat, L., Hu, J.J., & Hu, J.J. (2019). Trilinos Multigrid Solvers [Conference Poster]. https://www.osti.gov/biblio/1641018

Wildey, T., Bachman, W.B., & Bachman, W.B. (2019). Using High Performance Computing to Enable Data-informed Multiscale Modeling with Applications to Additive Materials [Conference Poster]. https://www.osti.gov/biblio/1640837

Wood, M.A., Thompson, A.P., Cusentino, M.A., Wirth, B.D., & Wirth, B.D. (2019). Data-driven material models for atomistic simulation. Physical Review B, 99(18). https://doi.org/10.1103/PhysRevB.99.184305

Hammond, S., Hughes, C., Levenhagen, M., Vaughan, C.T., Younge, A.J., Schwaller, B., Aguilar, M.J., Bachman, W.B., Bachman, W.B., & Bachman, W.B. (2019). Evaluating the Marvell ThunderX2 Server Processor for HPC Workloads [Conference Poster]. https://www.osti.gov/biblio/1640219

Peterson, K., Bochev, P., Kuberry, P., Trask, N.A., & Trask, N.A. (2019). Lagrange-Multiplier-Based Partitioned Method for Ocean-Atmosphere Coupling [Conference Poster]. https://www.osti.gov/biblio/1640221

Swiler, L.P., Stickland, M., Tarman, T.D., & Tarman, T.D. (2019). Design of Experiments for Cyber Experimentation [Conference Poster]. https://www.osti.gov/biblio/1640123

Bochev, P., Kuberry, P., Peterson, K., & Peterson, K. (2019). Explicit Partitioned Methods based on Monolithic Formulations of the Coupled Problem [Conference Poster]. https://www.osti.gov/biblio/1640129

Boman, E.G., Cambier, L., Chen, C., Darve, E., Rajamanickam, S., Tuminaro, R.S., & Tuminaro, R.S. (2019). SpaND: An Algebraic Sparsified Nested Dissection Algorithm Using Low-Rank Approximations [Conference Poster]. https://www.osti.gov/biblio/1639964

Feddema, J.T. (2019). An Overview of Machine Learning for Scientific and High Performance Computing at Sandia [Presentation]. https://www.osti.gov/biblio/1648824

Basurto, E., Brooks, D.M., Swiler, L.P., Mariner, P.E., & Mariner, P.E. (2019). Advances in Sensitivity Analysis for the Crystalline Reference Case [Presentation]. https://www.osti.gov/biblio/1648819

Revelle, M., Maunz, P.L.W., Landahl, A.J., Blain, M., Clark, S.M., Lobser, D., Muller, R.P., Rudinger, K.M., Yale, C.G., & Yale, C.G. (2019). QSCOUT: Quantum Scientific Computing Open User Testbed [Conference Poster]. https://www.osti.gov/biblio/1640057

Ruzic, B., Revelle, M., Maunz, P.L.W., & Maunz, P.L.W. (2019). Sideband Cooling of Ytterbium [Conference Poster]. https://www.osti.gov/biblio/1640126

Trott, C.R. (2019). Kokkos DeepDive [Presentation]. https://www.osti.gov/biblio/1648833

Mariner, P.E., Seidl, D.T., Swiler, L.P., Debusschere, B.J., Vo, J., Jerden, J., Frederick, J.M., & Frederick, J.M. (2019). Surrogate Modeling of Fuel Dissolution [Presentation]. https://www.osti.gov/biblio/1648825

Ibanez-Granados, D.A. (2019). The Kokkos Project [Presentation]. https://www.osti.gov/biblio/1645330

Dosanjh, M.G.F., Schonbein, W., Grant, R., Bridges, P.G., Gazimirsaeed, S.M., Afsahi, A., & Afsahi, A. (2019). Fuzzy matching: Hardware accelerated MPI communication middleware [Conference Poster]. Proceedings - 19th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing, CCGrid 2019. https://doi.org/10.1109/CCGRID.2019.00035

Blaylock, M., Houchens, B.C., Frankel, A., Maniaci, D.C., Herges, T., Geraci, G., Eldred, M., Knaus, R.C., Sakievich, P., & Sakievich, P. (2019). Comparison of Field Measurements and Large Eddy Simulations of the Scaled Wind Farm Technology (SWiFT) Site [Conference Poster]. https://doi.org/10.1115/AJKFluids2019-5493

Singh, B., Knueven, B., Watson, J., & Watson, J. (2019). Modeling Flexible Generator Operating Regions via Chance-constrained Stochastic Unit Commitment [Conference Poster]. https://www.osti.gov/biblio/1640059

Singh, B. (2019). Optimal Decision Making under Uncertainty [Presentation]. https://www.osti.gov/biblio/1645305

Trask, N.A., Bochev, P., Perego, M., & Perego, M. (2019). Mimetic Conservation Principles for Meshfree Approximation [Conference Poster]. https://www.osti.gov/biblio/1640111

Carlberg, K.T., Lee, K., & Lee, K. (2019). Nonlinear model reduction: Using machine learning to enable rapid simulation of extreme-scale physics models [Presentation]. https://www.osti.gov/biblio/1645297

Brown, J.A., Kittell, D.E., Wood, M.A., Thompson, A.P., Bolintineanu, D.S., & Bolintineanu, D.S. (2019). Multiscale modeling to determine the effect of porosity distribution on shocked hexanitrostilbene [Conference Poster]. https://www.osti.gov/biblio/1640149

Specht, P.E., Silling, S.A., Mitchell, J.A., Battaile, C., Brown, J.L., Wise, J.L., Adams, D.P., Brown, D., Palmer, T., Michael, J.R., Saavedra, M.P., & Saavedra, M.P. (2019). Shortening the Design and Certification Cycle for Additively Manufactured Materials by Improved Mesoscale Simulations and Validation Experiments [Presentation]. https://www.osti.gov/biblio/1645212

Bartlett, R., Frye, J.R., & Frye, J.R. (2019). Creating stable productive CSE software development and integration processes in unstable environments on the path to exascale [Conference Poster]. Proceedings - 2019 IEEE/ACM 14th International Workshop on Software Engineering for Science, SE4Science 2019. https://doi.org/10.1109/SE4Science.2019.00007

Levy, S.L.N., Ferreira, K., Schonbein, W., Grant, R., Dosanjh, M.G.F., & Dosanjh, M.G.F. (2019). Using simulation to examine the effect of MPI message matching costs on application performance. Parallel Computing, 84, pp. 63-74. https://doi.org/10.1016/j.parco.2019.02.008

Milewicz, R.M., Rodeghero, P., & Rodeghero, P. (2019). Position paper: Towards usability as a first-class quality of HPC scientific software [Conference Poster]. Proceedings - 2019 IEEE/ACM 14th International Workshop on Software Engineering for Science, SE4Science 2019. https://doi.org/10.1109/SE4Science.2019.00012

Milewicz, R.M., Pinto, G., Rodeghero, P., & Rodeghero, P. (2019). Characterizing the roles of contributors in open-source scientific software projects [Conference Poster]. IEEE International Working Conference on Mining Software Repositories. https://doi.org/10.1109/MSR.2019.00069

Singh, B. (2019). Optimization Based Decision-Support Tools for Influenza Pandemic Preparedness [Conference Poster]. https://www.osti.gov/biblio/1640060

Silling, S.A. (2019). Modeling the Dynamic Response of Materials with Peridynamics [Presentation]. https://www.osti.gov/biblio/1645267

Ward, H.L., Klundt, R.A., Timmerman, M., & Timmerman, M. (2019). Flash Based Lustre Filesystem for the ARM-based Supercomputer Astra [Conference Poster]. https://www.osti.gov/biblio/1640020

Yenpure, A., Childs, H., Moreland, K., & Moreland, K. (2019). Efficient Point Merging Using Data Parallel Techniques [Conference Poster]. https://www.osti.gov/biblio/1639974

Teranishi, K., Hollman, D.S., Dunlavy, D.M., Barrett, R.F., & Barrett, R.F. (2019). Development of parallel sparse CP-APR tensor decomposition solvers [Conference Poster]. https://www.osti.gov/biblio/1639958

Portone, T., Niederhaus, J.H.J., Swiler, L.P., & Swiler, L.P. (2019). Extended abstract: Bayesian model selection for metal yield models in high-velocity impact [Conference Poster]. https://www.osti.gov/biblio/1640078

Jakeman, J.D. (2019). A mathematical perspective on the certification and design of physical systems in the presence of uncertainty [Presentation]. https://www.osti.gov/biblio/1645241

Blume-Kohout, R.J. (2019). Metrics & Benchmarks for Digital Quantum Computing [Presentation]. https://www.osti.gov/biblio/1648785

Bynum, M., Klise, K.A., Hart, D., Haxton, T., Murray, R., Laird, C., & Laird, C. (2019). A Flexible and Extensible Software Framework for the WNTR Hydraulic Simulator [Conference Poster]. https://www.osti.gov/biblio/1640151

Nicholson, B.L., Biegler, L., & Biegler, L. (2019). Progress on Dynamics and Control in the IDAES Framework [Presentation]. https://www.osti.gov/biblio/1645294

Lin, P.T., Shadid, J.N., Phillips, E., Pawlowski, R., & Pawlowski, R. (2019). Algebraic multigrid-based preconditioning for Newton-Krylov methods for implicit continuum plasma simulations [Conference Poster]. https://www.osti.gov/biblio/1640121

Maurer, L.N., Marshall, M., de Campbell, A., Tracy, L.A., Lu, T., Ward, D.R., Misra, S., & Misra, S. (2019). Modeling Transport in Phosphorus δ-Doped Silicon Tunnel Junctions [Conference Poster]. https://www.osti.gov/biblio/1640109

Perego, M., Bochev, P., Bosler, P.A., Kuberry, P., Peterson, K., Trask, N.A., & Trask, N.A. (2019). Advances in the Approximation Theory of Generalized Moving Least Squares [Conference Poster]. https://www.osti.gov/biblio/1640218

Ridzal, D., Cyr, E.C., van Bloemen Waanders, B.G., & van Bloemen Waanders, B.G. (2019). Adjoint-based Parallel-in-time Optimization for Electromagnetics: From Source Inversion to Design [Conference Poster]. https://www.osti.gov/biblio/1640205

di Matteo, O., Gamble, J., Granade, C., Rudinger, K.M., Wiebe, N., & Wiebe, N. (2019). Operational Quantum Tomography [Conference Poster]. https://www.osti.gov/biblio/1640184

Ruzic, B., Brif, C., Biedermann, G., & Biedermann, G. (2019). Characterizing Errors in Entangled-Atom Interferometry [Conference Poster]. https://www.osti.gov/biblio/1640127

Haxton, T., Laky, D., Klise, K.A., Laird, C., Burkhardt, J., Murray, R., & Murray, R. (2019). Evaluation of Effectiveness of Regulatory Sampling Locations During Emergency Response Scenarios [Conference Poster]. https://www.osti.gov/biblio/1640156

Singh, B., Knueven, B., & Knueven, B. (2019). Lagrangian relaxation based heuristics for a chance-constrained optimization model of a hybrid solar-battery storage system. Optimization Online Repository, 2019, pp. 1-17. https://www.osti.gov/biblio/1526224

Pawlowski, R. (2019). Towards a Hybrid Multi-fluid/PIC Plasma Capability [Conference Poster]. https://www.osti.gov/biblio/1640701

Fierro, A.S., Yee, B.T., Hopkins, M.M., Robinson, A.C., Laity, G., & Laity, G. (2019). Numerical study of a coaxial electron sheath [Conference Poster]. https://www.osti.gov/biblio/1640224

Yamazaki, I., Bai, Z., Dongarra, J., Lu, D., & Lu, D. (2019). Matrix Powers Kernels for Thick-restart Lanczos with Explicit External Deflation [Conference Poster]. https://doi.org/10.1109/IPDPS.2019.00057

Bachman, W.B., Wang, Y., Wildey, T., & Wildey, T. (2019). A step towards a versatile Bayesian optimization: constrained asynchronous batch-parallel multi-fidelity and mixed-integer extensions [Conference Poster]. https://www.osti.gov/biblio/1640079

Kuberry, P., Perego, M., Trask, N.A., Bochev, P., & Bochev, P. (2019). Field reconstruction from native degrees-of-freedom using the Compadre Toolkit [Conference Poster]. https://www.osti.gov/biblio/1640167

Hammond, S., Hughes, C., Levenhagen, M., Vaughan, C.T., Younge, A.J., Schwaller, B., Aguilar, M.J., Bachman, W.B., Bachman, W.B., & Bachman, W.B. (2019). Evaluating the Marvell ThunderX2 Server Processor for HPC Workloads [Conference Poster]. https://www.osti.gov/biblio/1640040

Bochev, P., Trask, N.A., Kuberry, P., Perego, M., & Perego, M. (2019). Mesh-hardened finite element analysis through a Generalized Moving Least-Squares approximation of variational problems [Conference Poster]. https://doi.org/10.1007/978-3-030-41032-2_7

Bertagna, L., Jakeman, J.D., Perego, M., Tezaur, I.K., Watkins, J.E., Salinger, A.G., Asay-Davis, X., Hoffman, M., Price, S., Zhang, T., Stadler, G., & Stadler, G. (2019). Modeling Ice Sheets with MALI [Presentation]. https://www.osti.gov/biblio/1645332

Perego, M., Barone, A., Hoffman, M., & Hoffman, M. (2019). Implicit Thermo-Mechanical Coupling for Ice Sheet Modeling [Conference Poster]. https://www.osti.gov/biblio/1640623

Robinson, A.C. (2019). The Mie-Gruneisen Power Equation of State. https://doi.org/10.2172/1762624

Silling, S.A. (2019). Editorial: The World Is Nonlocal. Journal of Peridynamics and Nonlocal Modeling, 1(1), pp. 1-2. https://doi.org/10.1007/s42102-019-00009-7

Seidl, D.T., van Bloemen Waanders, B.G., Wildey, T., & Wildey, T. (2019). Simultaneous inversion of shear modulus and traction boundary conditions in biomechanical imaging. Inverse Problems in Science and Engineering, 28(2), pp. 1-21. https://doi.org/10.1080/17415977.2019.1603222

Bertagna, L., Deakin, M., Guba, O., Sunderland, D., Bradley, A.M., Tezaur, I.K., Taylor, M.A., Salinger, A.G., & Salinger, A.G. (2019). HOMMEXX 1.0: A performance-portable atmospheric dynamical core for the Energy Exascale Earth System Model. Geoscientific Model Development, 12(4), pp. 1423-1441. https://doi.org/10.5194/gmd-2018-218

Crussell, J., Kroeger, T., Brown, A., Phillips, C.A., & Phillips, C.A. (2019). Virtually the Same: Comparing Physical and Virtual Testbeds [Conference Poster]. 2019 International Conference on Computing, Networking and Communications, ICNC 2019. https://doi.org/10.1109/ICCNC.2019.8685630

Moreland, K. (2019). VTK-m Update (DOECGF 2019 [Presentation]. https://www.osti.gov/biblio/1644905

Mabuza, S., Shadid, J.N., Cyr, E.C., Smith, T.M., Kuzmin, D., & Kuzmin, D. (2019). Stabilized continuous finite element schemes for problems in plasma physics [Conference Poster]. https://www.osti.gov/biblio/1639628

Aimone, J.B. (2019). Neural algorithms and computing beyond Moore's law [Conference Poster]. Communications of the ACM. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85063500918&origin=inward

Lechman, J.B., Silling, S.A., Barr, C.M., Bufford, D.C., Cooper, M., & Cooper, M. (2019). Particle-scale Modeling andSimulation of Powder Processing ? Die Compaction [Conference Poster]. https://www.osti.gov/biblio/1639648

Peterson, M.G., Vollmer, C., Young, C.J., Stracuzzi, D.J., & Stracuzzi, D.J. (2019). Robust Arrival Time Uncertainty Estimation Using Gaussian Blurring [Conference Poster]. https://www.osti.gov/biblio/1639738

Roach, R.A., Jared, B.H., Boyce, B.L., Lechman, J.B., Martinez, M., Forrest, E.C., Taylor, S., Dagel, A., Madison, J., Ivanoff, T., Koepke, J.R., Swiler, L.P., van Bloemen Waanders, B.G., Clark, B.W., Rodgers, T., Johnson, K.L., & Johnson, K.L. (2019). Overview of Sandia's Born Qualified Project [Presentation]. https://www.osti.gov/biblio/1644903

Baczewski, A.D., Cangi, A., Hansen, S.B., & Hansen, S.B. (2019). Transport properties of magnetized warm dense matter using time-dependent density functional theory [Conference Poster]. https://www.osti.gov/biblio/1639925

Miles, J.S., Morales, N.M., Teranishi, K., Trott, C.R., & Trott, C.R. (2019). Software Resilience using Kokkos Ecosystem [Presentation]. https://www.osti.gov/biblio/1645193

Jared, B.H., Boyce, B.L., Madison, J., Rodelas, J., Saiz, D.J., Koepke, J.R., Huber, T., Ivanoff, T., Salzbrenner, B., Kernen, B.L., Moore, D., Swiler, L.P., & Swiler, L.P. (2019). The Influence of Defects on the Performance of 316L Stainless Steel from Metal L-PBF [Presentation]. https://www.osti.gov/biblio/1648746

Cyr, E.C., Boyer, D., & Boyer, D. (2019). Panel Talk: Model Extraction and Reduction [Presentation]. https://www.osti.gov/biblio/1645189

Laird, C. (2019). Convergence of Operations Research with Safety and Security [Presentation]. https://www.osti.gov/biblio/1644914

Laird, C. (2019). Advances and Opportunities in Optimization of Electrical Grid Operations [Conference Poster]. https://www.osti.gov/biblio/1639749

Silling, S.A. (2019). Modeling the Dynamics of Materials with Peridynamics [Presentation]. https://www.osti.gov/biblio/1645202

Pautz, S.D., Adams, B.M., Bruss, D.E., & Bruss, D.E. (2019). GEOMETRIC UNCERTAINTY QUANTIFICATION AND ROBUST DESIGN FOR 2D SATELLITE SHIELDING [Conference Poster]. https://www.osti.gov/biblio/1639927

Hart, W.E. (2019). Applying Interdiction Optimization to Cybersecurity Problems in Energy Infrastructure [Conference Poster]. https://www.osti.gov/biblio/1639751

Brown, J.A., Kittell, D.E., Wood, M.A., Thompson, A.P., Bolintineanu, D.S., & Bolintineanu, D.S. (2019). Multiscale modeling to determine the effect of porosity distribution on shocked hexanitrostilbene [Conference Poster]. https://www.osti.gov/biblio/1639905

Laird, C., Bynum, M., Castillo, A., Watson, J., Liu, J., & Liu, J. (2019). Mixed-Integer Nonlinear Programming Applications: Pyomo Tools and Tailored Strategies [Conference Poster]. https://www.osti.gov/biblio/1639750

Tuncer, O., Ates, E., Zhang, Y., Turk, A., Brandt, J.M., Leung, V.J., Egele, M., Coskun, A.K., & Coskun, A.K. (2019). Online Diagnosis of Performance Variation in HPC Systems Using Machine Learning. IEEE Transactions on Parallel and Distributed Systems, 30(4), pp. 883-896. https://doi.org/10.1109/TPDS.2018.2870403

Moreland, K., Quammen, C., & Quammen, C. (2019). What's New in ParaView [Presentation]. https://www.osti.gov/biblio/1644904