Publications

Swiler, L.P., Geraci, G., Debusschere, B.J., Crussell, J., & Crussell, J. (2019). Uncertainty Quantification in Cyber Emulation [Conference Poster]. https://www.osti.gov/biblio/1642954

Wendt, J.D., Kegelmeyer, W.P., Pinar, A., Shead, T.M., Saavedra, G., Safta, C., Bertino, J., & Bertino, J. (2019). Data Analytics are Powerful -- Handle with Care [Conference Poster]. https://www.osti.gov/biblio/1642746

Woods, C., Curry, M.L., & Curry, M.L. (2019). Implementing a Common HPC Environment in a Multi-User Spack Instance [Conference Poster]. https://www.osti.gov/biblio/1642823

Moreland, K., Childs, H., Pugmire, D., Maynard, R., & Maynard, R. (2019). VTK-m: A ToolKit for Scientific Visualization on Many-Core Processors More Advanced Algorithm #1 (VIS 2019 Tutorial) [Presentation]. https://www.osti.gov/biblio/1678819

Miller, S., Cyr, E.C., Bettencourt, M.T., Gardiner, T.A., Beckwith, K., Hamlin, N.D., Shields, S., & Shields, S. (2019). Hybrid fluid-kinetic models for high-energy-density plasmas [Conference Poster]. https://www.osti.gov/biblio/1642844

Tomas, I. (2019). Numerical schemes for hyperbolic systems of conservation laws [Presentation]. https://www.osti.gov/biblio/1646139

Musuvathy, S., Aimone, J.B., Cardwell, S.G., Chance, F.S., Dellana, R., Ho, Y., Reeder, L., Severa, W., Vineyard, C.M., Wang, F., & Wang, F. (2019). Fugu: Algorithm Development for Neuromorphic Hardware [Presentation]. https://www.osti.gov/biblio/1646072

Debenedicti, E., Frank, M.P., & Frank, M.P. (2019). New Design Principles for Cold Electronics [Conference Poster]. https://www.osti.gov/biblio/1642759

Baczewski, A.D., Brickson, M.I., Campbell, Q.T., Jacobson, N.T., Maurer, L., Witzel, W., Misra, S., Luhman, D.R., & Luhman, D.R. (2019). Modeling the electronic structure and dynamics of semiconductor quantum devices [Conference Poster]. https://www.osti.gov/biblio/1642785

Crussell, J., Brown, A., Jennings, J.K., Kavaler, D., Kroeger, T., Phillips, C.A., & Phillips, C.A. (2019). Quantifying Uncertainty in Emulations (LDRD Report). https://doi.org/10.2172/1571878

Ibanez-Granados, D.A. (2019). Omega_h: Cutting-edge Adaptation Algorithms with HPC Portability [Conference Poster]. https://www.osti.gov/biblio/1642779

Cusentino, M.A., Wood, M.A., Thompson, A.P., & Thompson, A.P. (2019). Machine Learned Interatomic Potentials for Modeling Plasma Material Interactions [Conference Poster]. https://www.osti.gov/biblio/1642843

Bachman, W.B., Tran, H., & Tran, H. (2019). Data-driven high-fidelity 2D microstructure reconstruction via non-local patch-based image inpainting. Acta Materialia, 178(C), pp. 207-218. https://doi.org/10.1016/j.actamat.2019.08.007

Hardy, W., Su, Y., Chuang, Y., Maurer, L., Brickson, M.I., Baczewski, A.D., Li, J., Lu, T., Luhman, D.R., & Luhman, D.R. (2019). Gate-Defined Quantum Dots in Ge/SiGe Quantum Wells as a Platform for Spin Qubits [Conference Poster]. https://doi.org/10.1149/09201.0017ecst

Jared, B.H., Madison, J., Mitchell, J.A., Saiz, D.J., Koepke, J.R., Dagel, D., Ivanoff, T., & Ivanoff, T. (2019). Detecting Process Defects in Laser-Powder Bed Fusion [Conference Poster]. https://www.osti.gov/biblio/1643040

Niederhaus, J.H.J., Yang, P., Diantonio, C., Vunni, G., & Vunni, G. (2019). Finite-element modeling for an explosively loaded ferroelectric generator. https://doi.org/10.2172/1571553

Aimone, J.B. (2019). Computing with Spikes [Presentation]. https://www.osti.gov/biblio/1646089

Miles, J.S., Teranishi, K., Morales, N.M., Mould, C., & Mould, C. (2019). Portable Resilience with Kokkos - summary [Conference Poster]. https://www.osti.gov/biblio/1642751

Pawlowski, R. (2019). Nonlinear Analysis Product Area Update [Conference Poster]. https://www.osti.gov/biblio/1642987

Swan, M.S. (2019). EMPIRE's Current Setup for Performance Testing [Presentation]. https://www.osti.gov/biblio/1646131

Devine, K. (2019). Trilinos Data Services 2019 [Presentation]. https://www.osti.gov/biblio/1646132

Hoekstra, R.J. (2019). Improving the mission impact of HPC systems through CO-DESIGN [Presentation]. https://www.osti.gov/biblio/1646134

Young, K.C., Blume-Kohout, R.J., Nielsen, E., Proctor, T.J., Rudinger, K.M., Sarovar, M., & Sarovar, M. (2019). Emergent Errors in NISQ Devices [Conference Poster]. https://www.osti.gov/biblio/1642641

Lofstead, G.F. (2019). Data Management and Scientific Workflows at Sandia National Labs [Presentation]. https://www.osti.gov/biblio/1646033

Rodrigues, A., Voskieulen, G., Gohkale, M., & Gohkale, M. (2019). Towards a Scatter-Gather Architecture [Conference Poster]. https://doi.org/10.1145/3357526.3357571

Cyr, E.C., Miller, S., Pawlowski, R., Phillips, E., Beckwith, K., Bettencourt, M.T., Cartwright, K.L., Kramer, R.M.J., Roberts, N.V., Shadid, J.N., Shields, S., & Shields, S. (2019). Implicit-Explicit Time Integration for a Mixed CG-DG Multi-Fluid Plasma Formulation [Conference Poster]. https://www.osti.gov/biblio/1642848

Shields, S., Cartwright, K.L., Miller, S., Pointon, T., Cyr, E.C., Beckwith, K., & Beckwith, K. (2019). Verification of a PIC-Fluid Hybrid Code With the Two-stream Plasma Instability Problem [Conference Poster]. https://www.osti.gov/biblio/1642851

Wang, F., Severa, W., Aimone, J.B., & Aimone, J.B. (2019). Context-modulation of hippocampal dynamics and deep convolutional networks [Conference Poster]. https://www.osti.gov/biblio/1642866

Becker, D., Brooks, D.M., Govaerts, J., Koskinen, L., Kucherenko, S., Kupiainen, P., Mariner, P.E., Pastina, B., Plischke, E., Rohlig, K., Sevougian, S.D., Spiessl, S., Stein, E., Swiler, L.P., Weetjens, E., & Weetjens, E. (2019). A Joint Exercise on Sensitivity Analysis in Repository Performance Assessment [Conference Poster]. https://www.osti.gov/biblio/1642988

Frank, M.P., Lewis, R.M., & Lewis, R.M. (2019). Implementing the Asynchronous Reversible Computing Paradigm in Josephson Junction Circuits [Conference Poster]. https://www.osti.gov/biblio/1642993

Rudinger, K.M. (2019). Benchmarking NISQ Devices [Conference Poster]. https://www.osti.gov/biblio/1642768

Wilson, A.T. (2019). Application Spotlight: Maritime and Air Trajectory Analysis - Overview [Conference Poster]. https://www.osti.gov/biblio/1642933

Wilson, A.T., Bachman, W.B., Valicka, C.G., & Valicka, C.G. (2019). Application Spotlight: Maritime and Air Trajectory Analysis - Feature Vectors [Conference Poster]. https://www.osti.gov/biblio/1642934

Fayad, S.S., Seidl, D.T., Reu, P.L., & Reu, P.L. (2019). Minimizing Pattern Induced Bias in Digital Image Correlation [Conference Poster]. https://www.osti.gov/biblio/1642830

Geraci, G., Eldred, M., Gorodetsky, A., Jakeman, J.D., & Jakeman, J.D. (2019). Recent advancement in Multifidelity Uncertainty Quantification [Conference Poster]. https://www.osti.gov/biblio/1642820

D'Elia, M., Parks, M.L., Buczkowski, N., & Buczkowski, N. (2019). Nonlocal Physics Informed Neural Networks [Conference Poster]. https://www.osti.gov/biblio/1642837

Schwaller, B., Aksar, B., Aaziz, O., Ates, E., Brandt, J.M., Coskun, A., Egele, M., Leung, V.J., & Leung, V.J. (2019). A Machine Learning Approach to Understanding HPC Application Performance Variation [Conference Poster]. https://www.osti.gov/biblio/1642784

Aksar, B., Schwaller, B., Aaziz, O., Ates, E., Brandt, J.M., Coskun, A., Egele, M., Leung, V.J., & Leung, V.J. (2019). AD for Machine Learning Approach to Understanding HPC Application Performance Variation Poster [Conference Poster]. https://www.osti.gov/biblio/1642788

Trask, N.A. (2019). Spatially compatible meshfree discretization through GMLS and graph theory [Presentation]. https://www.osti.gov/biblio/1675161

Cusentino, M.A., Wood, M.A., Thompson, A.P., & Thompson, A.P. (2019). Molecular Dynamics Modeling of Mixed Materials in Tungsten Using Machine Learned Interatomic Potentials [Conference Poster]. https://www.osti.gov/biblio/1642931

Anderson, E.M., Schmucker, S.W., de Campbell, A., Lu, T., Baczewski, A.D., Arghavani, R., Ward, D.R., & Ward, D.R. (2019). Low Thermal Budget Gate Stack for Atomic Precision Devices [Presentation]. https://www.osti.gov/biblio/1700542

Mariner, P.E., Debusschere, B.J., Jerden, J., Seidl, D.T., Swiler, L.P., Vo, J., & Vo, J. (2019). Lessons Learned in the Development of Source Term Surrogate Models for Repository Performance Assessment [Conference Poster]. https://www.osti.gov/biblio/1643084

Silling, S.A. (2019). The Mechanics of Unstable Peridynamic Materials [Conference Poster]. https://www.osti.gov/biblio/1642955

Gao, X., Mamaluy, D., Goldflam, M., & Goldflam, M. (2019). FAIR DEAL GC Thrust 2: APAM modeling [Presentation]. https://www.osti.gov/biblio/1646191

Orient, G., Clay, R.L., Friedman-Hill, E.J., Pebay, P., Ridgway, E.M., & Ridgway, E.M. (2019). Sensitivity and Uncertainty Workflow of Full System SIERRA Models Supporting High Consequence Applications. https://doi.org/10.2172/1567833

Mamaluy, D., Mendez Granado, J.P., Gao, X., & Gao, X. (2019). Quantum Transport in APAM Wires: Consequences of the novel electronic structure of Si:P δ-layered systems [Presentation]. https://www.osti.gov/biblio/1700543

Moreland, K., Childs, H., Pugmire, D., Maynard, R., & Maynard, R. (2019). VTK-m: A ToolKit for Scientific Visualization on Many-Core Processors More Advanced Algorithm #2 (VIS 2019 Tutorial) [Presentation]. https://www.osti.gov/biblio/1678821

Campbell, Q.T., Schultz, P.A., Bussmann, E., Baczewski, A.D., & Baczewski, A.D. (2019). Modeling Dopant Incorporation Pathways for APAM Device Fabrication: A First Principles study of Phosphine and Diborane on a Silicon (100) Surface [Presentation]. https://www.osti.gov/biblio/1700538

Sockwell, K.C., Kuberry, P., Bochev, P., Trask, N.A., Peterson, K., & Peterson, K. (2019). Bulk-Interface-Flux-Recovery (Bulk-IFR) Method for Coupling the Atmosphere-Ocean Interface [Conference Poster]. https://www.osti.gov/biblio/1642998

Hu, W., Trask, N.A., Hu, X., Pan, W., & Pan, W. (2019). A spatially adaptive high-order meshless method for fluid–structure interactions. Computer Methods in Applied Mechanics and Engineering, 355(C), pp. 67-93. https://doi.org/10.1016/j.cma.2019.06.009

Knueven, B., Bynum, M., Castillo, A., Laird, C., Watson, J., & Watson, J. (2019). EGRET: Electrical Grid Research and Engineering Tools [Conference Poster]. https://www.osti.gov/biblio/1642890

Steyer, A. (2019). Time-Stepping the in E3SM nonhydrostatic atmsophere dynamic core [Presentation]. https://www.osti.gov/biblio/1646141

Katzenmeyer, A.M., Goldflam, M., Bachman, W.B., Jarzembski, A., Baczewski, A.D., Young, S.M., & Young, S.M. (2019). APAM Photonics Silicon: optics beyond the telecom region [Presentation]. https://www.osti.gov/biblio/1700541

Plimpton, S.J. (2019). Aspherical particle models for molecular dynamics simulation. Computer Physics Communications, 243(C), pp. 12-24. https://doi.org/10.1016/j.cpc.2019.05.010

Jones, R.E., Rimsza, J.M., Littlewood, D.J., Laforce, T., & Laforce, T. (2019). Modeling of Multiphysics Crack Growth in Cement [Conference Poster]. https://www.osti.gov/biblio/1643056

Siirola, J.D., Nicholson, B.L., & Nicholson, B.L. (2019). Recent developments in Pyomo [Conference Poster]. https://www.osti.gov/biblio/1643006

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 in a Gas Cell [Conference Poster]. https://www.osti.gov/biblio/1642875

Lehoucq, R.B., Lipton, R.P., Jha, P.K., & Jha, P.K. (2019). Complex Fracture Nucleation and Evolution with Nonlocal Elastodynamics. Journal of Peridynamics and Nonlocal Modeling, 1(2), pp. 122-130. https://doi.org/10.1007/s42102-019-00010-0

Maunz, P.L.W., Clark, S.M., Landahl, A.J., Lobser, D., Revelle, M., Rudinger, K.M., Yale, C.G., & Yale, C.G. (2019). Quantum Scientific Computing Open User Testbed [Conference Poster]. https://www.osti.gov/biblio/1642727

Kommareddy, V.R., Hammond, S., Hughes, C., Samih, A., Awad, A., & Awad, A. (2019). Page migration support for disaggregated non-volatile memories [Conference Poster]. ACM International Conference Proceeding Series. https://doi.org/10.1145/3357526.3357543

Swiler, L.P., Helton, J.C., Basurto, E., Brooks, D.M., Mariner, P.E., Moore, L., Mohanty, S., Sevougian, S.D., Stein, E., & Stein, E. (2019). Status Report on Uncertainty Quantification and Sensitivity Analysis Tools in the Geologic Disposal Safety Assessment (GDSA) Framework. https://doi.org/10.2172/1574263

Trujillo, G., Trott, C.R., & Trott, C.R. (2019). Milestone 1241. https://doi.org/10.2172/1573927

Trott, C.R. (2019). Documented Kokkos Application Use-Cases WBS STPM12 Milestone 19. https://doi.org/10.2172/1573538

Trott, C.R. (2019). Engage the ISO C++ Standard Committee. https://doi.org/10.2172/1575113

Trott, C.R. (2019). ROCM+Intel-PathForward+RemoteSpaces Development. https://doi.org/10.2172/1573540

Humphrey, A. (2019). Preliminary Experiences with the Uintah AMT Runtime System on Sandia Astra [Slides]. https://doi.org/10.2172/1569517

Blanco, M.P., Kim, K., & Kim, K. (2019). Performance Modeling of Vectorized SNAP Inter-Atomic Potentials on CPU Architectures. https://doi.org/10.2172/1564037

Decolvenaere, E., Wills, A.E., & Wills, A.E. (2019). Density Functional Theory Applied to Transition Metal Elements and binaries: Development Application and Results of the V-DM/16 Test Set. https://doi.org/10.2172/1562832

Shadid, J.N. (2019). Towards Multifluid Multiphysics Continuum Plasma Simulation for Modeling Magnetically-driven Experiments on Z. https://doi.org/10.2172/1571364

Rothganger, F., Hoemmen, M.F., Phipps, E.T., Warrender, C., & Warrender, C. (2019). Dynamical System for Resilient Computing. https://doi.org/10.2172/1562427

Bambha, R., Lafranchi, B.W., Schrader, P., Roesler, E.L., Taylor, M.A., Lucero, D.A., Ivey, M.D., Michelsen, H.A., & Michelsen, H.A. (2019). Monitoring, Understanding, and Predicting the Growth of Methane Emissions in the Arctic. https://doi.org/10.2172/1562416

Voskuilen, G.R., Frank, M.P., Hammond, S., Rodrigues, A., & Rodrigues, A. (2019). Evaluating the Opportunities for Multi-Level Memory - An ASC 2016 L2 Milestone. https://doi.org/10.2172/1562213

Turner, D.Z. (2019). An Overview of the Gradient-Based Local DIC Formulation for Motion Estimation in DICe. https://doi.org/10.2172/1561808

Shaneyfelt, W.L., Feddema, J.T., James, C.D., & James, C.D. (2019). A Surety Engineering Framework and Process to Address Ethical Legal and Social Issues for Artificial Intelligence. https://doi.org/10.2172/1561812

Hoekstra, R.J., Ruggirello, K., & Ruggirello, K. (2019). Predictive Science ASC Alliance Program (PSAAP) II 2016 Review of the Carbon Capture Multidisciplinary Science Center (CCMSC) at the University of Utah. https://doi.org/10.2172/1561822

Mariner, P.E., Connolly, L.A., Cunningham, L., Debusschere, B.J., Dobson, D.C., Frederick, J.M., Hammond, G.E., Jordan, S.H., Laforce, T., Nole, M.A., Park, H.D., Bachman, W.B., Rogers, R., Seidl, D.T., Sevougian, S.D., Stein, E., Swift, P., Swiler, L.P., Vo, J., Wallace, M., & Wallace, M. (2019). Progress in Deep Geologic Disposal Safety Assessment in the U.S. since 2010. https://doi.org/10.2172/1570094

Hendrickson, B.A., Alvin, K.F., Miller, L.A., Collis, S.S., & Collis, S.S. (2019). Center for Computing Research Highlights. https://doi.org/10.2172/1561474

Ang, J.A., Barrett, R.F., Benner, R.E., Burke, D., Chan, C., Cook, J., Daley, C.S., Donofrio, D., Hammond, S., Hemmert, K.S., Hoekstra, R.J., Ibrahim, K., Kelly, S.M., le, H., Leung, V.J., Michelogiannakis, G., Resnick, D.R., Rodrigues, A., Shalf, J., … Voskuilen, G.R. (2019). Abstract Machine Models and Proxy Architectures for Exascale Computing. https://doi.org/10.2172/1561498

Levy, S.L.N., Ferreira, K., & Ferreira, K. (2019). Evaluating tradeoffs between MPI message matching offload hardware capacity and performance [Conference Poster]. ACM International Conference Proceeding Series. https://doi.org/10.1145/3343211.3343223

Bond, S.D., Franke, B., Lehoucq, R.B., Smith, J.D., & Smith, J.D. (2019). Developing and evaluating Malliavin estimators for intrusive sensitivity analysis of Monte Carlo radiation transport. https://doi.org/10.2172/1568989

Winovich, N., Rushdi, A., Phipps, E.T., Ray, J., Lin, G., Ebeida, M., & Ebeida, M. (2019). Rigorous Data Fusion for Computationally Expensive Simulations. https://doi.org/10.2172/1560809

Trott, C.R. (2019). Kokkos Training Bootcamp. https://doi.org/10.2172/1573539

Hughes, C., Hammond, S., Khairy, M., Zhang, M., Green, R., Rogers, T., Hoekstra, R.J., & Hoekstra, R.J. (2019). Balar: A SST GPU Component for Performance Modeling and Profiling. https://doi.org/10.2172/1560919

Specht, P.E., Mitchell, J.A., Adams, D.P., Brown, J.L., Silling, S.A., Wise, J.L., Palmer, T., & Palmer, T. (2019). Shortening the Design and Certification Cycle for Additively Manufactured Materials by Improved Mesoscale Simulations and Validation Experiments: Fiscal Year 2019 Status Report. https://doi.org/10.2172/1570554

Younge, A.J., Gamblin, T., & Gamblin, T. (2019). ECP Packaging Technologies [Presentation]. https://www.osti.gov/biblio/1646052

Younge, A.J., Bachman, W.B., Bachman, W.B., Hammond, S., & Hammond, S. (2019). An Update on Astra: Experiences Running the first Petascale ARM Supercomputer [Conference Poster]. https://www.osti.gov/biblio/1642723

Orient, G., Friedman-Hill, E.J., Glickman, M.R., Olson, K., Ridgway, E.M., & Ridgway, E.M. (2019). Sensitivity and Uncertainty Workflow of Full System SIERRA Models Supporting High Consequence Applications [Presentation]. https://www.osti.gov/biblio/1645921

Bochev, P., Bosler, P.A., Kuberry, P., Perego, M., Peterson, K., Trask, N.A., & Trask, N.A. (2019). Compatible Particle Discretizations (Final LDRD Report). https://doi.org/10.2172/1569143

Knueven, B., Bynum, M., Castillo, A., Laird, C., Watson, J., & Watson, J. (2019). EGRET: Unit Commitment and {Economic?} Dispatch [Conference Poster]. https://www.osti.gov/biblio/1643645

Plimpton, S.J. (2019). Implicit surface models in the SPARTA DSMC code [Conference Poster]. https://www.osti.gov/biblio/1642157

Aaziz, O., Vaughan, C.T., Cook, J., Cook, J., Kuehn, J., & Kuehn, J. (2019). Fine-Grained Analysis of Communication Similarity between Real And Proxy Applications [Conference Poster]. https://www.osti.gov/biblio/1641964

Moreland, K. (2019). ECP Milestone Highlights WBS 2.3.4.13 ECP/VTK-m FY19Q4 [MS-19/09 MS-20/01-07] Path Geometry / Data Models / Normals / Contouring / Advanced Flow [Presentation]. https://www.osti.gov/biblio/1646057

Cartwright, K.L., Moore, C.H., Roberds, N.A., Abel, K., Flanagan, T.M., Christenson, P.J., Bettencourt, M.T., Pointon, T., Turner, C.D., Raybourn, E.M., & Raybourn, E.M. (2019). Initial Comparison to Experiments of EMPIRE Simulations with Diodes Driven by the Photoelectric Effect [Conference Poster]. https://www.osti.gov/biblio/1641932

Trott, C.R., Hollman, D.S., Sunderland, D., Hoemmen, M.F., Edwards, C., Adelstein-Lelbach, B., & Adelstein-Lelbach, B. (2019). mdspan in C++: A Case Study in the Integration of Performance Portable Features into International Language Standards [Conference Poster]. https://www.osti.gov/biblio/1641938

Younge, A.J., Bachman, W.B., & Bachman, W.B. (2019). Containers Programming Environments and ARM ? oh my! [Conference Poster]. https://www.osti.gov/biblio/1642170

Powell, M., Ibanez-Granados, D.A., Fuller, T.J., Granzow, B.N., Voth, T.E., Hansen, G., & Hansen, G. (2019). Multi-material dynamic domain topology changes in the Lagrangian Grid Reconnection (LGR) code [Conference Poster]. https://www.osti.gov/biblio/1641929

Glusa, C. (2019). Asynchronous Domain Decomposition Solvers [Conference Poster]. https://www.osti.gov/biblio/1641965

Trujillo, G., Turner, D.Z., Brightwell, R.B., Oldfield, R., Clay, R.L., & Clay, R.L. (2019). September 2019 ECP ST Project Review [Presentation]. https://www.osti.gov/biblio/1646043

Conde, S., Mabuza, S., Shadid, J.N., Cyr, E.C., Smith, T.M., Pawlowski, R., & Pawlowski, R. (2019). On algebraic flux correction in continuous finite element schemes for problems in plasma physics [Conference Poster]. https://www.osti.gov/biblio/1641928

Watson, J., Knueven, B., Ostrowski, J., & Ostrowski, J. (2019). EGRET: Unit Commitment and {Economic...} Dispatch [Presentation]. https://www.osti.gov/biblio/1645916