Publications

Gao, X., Dowling, A.W., Knueven, B., Siirola, J.D., & Siirola, J.D. (2020). Multi-scale Simulation of Energy Systems-Electricity Market Interactions [Conference Presenation]. https://doi.org/10.2172/1830998

Dang, V., Kotulski, J.D., Rajamanickam, S., & Rajamanickam, S. (2020). ADELUS: A Performance-Portable Dense LU Solver for Distributed-Memory Hardware-Accelerated Systems [Conference Presenation]. https://doi.org/10.2172/1831759

Pawlowski, R., Phipps, E.T., Trott, C.R., Cyr, E.C., Shadid, J.N., & Shadid, J.N. (2020). Finite Element Tools for Performance Portability of Implicit and IMEX Simulations on Next Generation Architectures [Conference Presenation]. https://doi.org/10.2172/1833498

Stracuzzi, D.J., Speed, A., & Speed, A. (2020). Research Needs for Trusted Analytics in National Security Settings [Presentation]. https://www.osti.gov/biblio/1832675

Dominguez-Trujillo, J., Haskins, K., Khouzani, S.J., Leap, C., Tashakkori, S., Wofford, Q., Estrada, T., Bridges, P.G., Widener, P., & Widener, P. (2020). Lightweight Measurement and Analysis of HPC Performance Variability [Conference Poster]. Proceedings of PMBS 2020: Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems, Held in conjunction with SC 2020: The International Conference for High Performance Computing, Networking, Storage and Analysis. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85099537424&origin=inward

Medina, B., Moore, C.H., Bell, K., Bettencourt, M.T., Cartwright, K.L., Cassany, B., Hebert, D., Gardelle, J., Modin, P., Szalek, N., & Szalek, N. (2020). Simulating High Energy Beam Transport Through a Collisional Gas Cell with EMPIRE [Conference Presenation]. https://doi.org/10.2172/1833148

Cannon, M.J., Rodrigues, A., Black, D.A., Black, J.D., Bustamante, L., Feinberg, B., Quinn, H., Lawrence, C., Brunhaver, J., Hugh, B., McLain, M., Agarwal, S., Marinella, M., & Marinella, M. (2020). Multiscale System Modeling of Single Event Induced Faults in Advanced Node Processors [Conference Presenation]. https://doi.org/10.2172/1831591

Rajamanickam, S. (2020). AMD Meeting ? Trilinos / Kokkos Kernels requirements [Presentation]. https://www.osti.gov/biblio/1831762

Jackson, N.D., Gunda, T., Staid, A., & Staid, A. (2020). Weather Impacts On Utility-Scale Photovoltaic Plant Performance [Conference Poster]. https://doi.org/10.2172/1833151

Phillips, C.A. (2020). Promotion to the Next Level ? Industry and Labs [Conference Presenation]. https://doi.org/10.2172/1831042

Peterson, K., Bolintineanu, D.S., Turner, A., & Turner, A. (2020). Conservative Remap and Interpolation for the Discrete Element for Sea Ice Model [Conference Presenation]. https://doi.org/10.2172/1833790

Schonbein, W. (2020). Intelligent Networks for High Performance Computing [Presentation]. https://www.osti.gov/biblio/1834462

Hammond, S., Younge, A.J., Bachman, W.B., Bachman, W.B., & Bachman, W.B. (2020). Early Experiences with A64FX [Conference Presenation]. https://doi.org/10.2172/1831598

Grant, R., Hammond, S., Bachman, W.B., Levenhagen, M., Olivier, S.L., Bachman, W.B., Ward, H.L., Younge, A.J., & Younge, A.J. (2020). Enabling Power Measurement and Control on Astra: The First Petascale Arm Supercomputer [Conference Paper]. https://www.osti.gov/biblio/1882300

Adams, B.M., Bohnhoff, W.J., Dalbey, K.R., Ebeida, M.S., Eddy, J.P., Eldred, M.S., Hooper, R.W., Hough, P.D., Hu, K.T., Jakeman, J.D., Khalil, M., Maupin, K.A., Monschke, J.A., Ridgway, E.M., Rushdi, A., Seidl, D.T., Stephens, J.A., Winokur, J.G., & Winokur, J.G. (2020). Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.13 User's Manual. https://doi.org/10.2172/1817318

Stracuzzi, D.J. (2020). Models of Models: Recognizing and Managing the Uncertainties of Machine Learning in Engineering Applications [Conference Presenation]. https://doi.org/10.2172/1831563

Gross, B., Kuberry, P., Trask, N.A., Atzberger, P., & Atzberger, P. (2020). Meshless Methods for Manifolds GMLS Approximations of Hydrodynamic Responses in Curved Fluid Interfaces [Conference Presenation]. https://doi.org/10.2172/1834284

Freno, B.A., Carnes, B., Weirs, G., & Weirs, G. (2020). Code-Verification Techniques for Hypersonic Reacting Flows in Thermochemical Nonequilibrium [Conference Presenation]. https://doi.org/10.2172/1831600

Loe, J.A. (2020). Linear Solvers and Computing: Behind the Scenes [Presentation]. https://www.osti.gov/biblio/1831351

Grant, R., Schonbein, W., Levy, S.L.N., & Levy, S.L.N. (2020). Radd runtimes: Radical and different distributed runtimes with smartnics [Conference Paper]. Proceedings of IPDRM 2020: 4th Annual Workshop on Emerging Parallel and Distributed Runtime Systems and Middleware, Held in conjunction with SC 2020: The International Conference for High Performance Computing, Networking, Storage and Analysis. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85100923740&origin=inward

Bertagna, L., Guba, O., Bradley, A.M., Salinger, A.G., Taylor, M.A., Foucar, J.G., & Foucar, J.G. (2020). Performance-Portability Results for the Non-Hydrostatic Atmosphere Dycore of E3SM at Cloud-Resolving Resolutions [Conference Presenation]. https://doi.org/10.2172/1831385

Hentschel, T., Hansen, S.B., Cangi, A., Kononov, A., Baczewski, A.D., & Baczewski, A.D. (2020). Collisions and Correlations in Warm Dense Matter: effects on electronic stopping [Conference Presenation]. https://doi.org/10.2172/1830065

Evans, N., Ciesko, J., Olivier, S.L., Pritchard, H., Iwasaki, S., Raffenetti, K., Balaji, P., & Balaji, P. (2020). Implementing Flexible Threading Support in Open MPI [Conference Paper]. Proceedings of ExaMPI 2020: Exascale MPI Workshop, Held in conjunction with SC 2020: The International Conference for High Performance Computing, Networking, Storage and Analysis. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85099744910&origin=inward

Owen, J.H.G., Campbell, Q.T., Santini, R., Ivie, J.A., Baczewski, A.D., Schmucker, S.W., Bussmann, E., Misra, S., Randall, J.N., & Randall, J.N. (2020). Triethyl Aluminium - A Precursor for Atomically-Precise Acceptor Dopant Placement? [Conference Presenation]. https://doi.org/10.2172/1831369

Rajamanickam, S. (2020). Panel:. AI4S Workshop on Artifical Intelligence and Machine Learning for Scientific Applications [Conference Presenation]. https://doi.org/10.2172/1882040

Bogle, I., Boman, E.G., Devine, K., Rajamanickam, S., Slota, G.M., & Slota, G.M. (2020). Distributed Memory Graph Coloring Algorithms for Multiple GPUs [Conference Paper]. Proceedings of IA3 2020: 10th Workshop on Irregular Applications: Architectures and Algorithms, Held in conjunction with SC 2020: The International Conference for High Performance Computing, Networking, Storage and Analysis. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85105511673&origin=inward

Trask, N.A. (2020). A data-driven exterior calculus for model discovery [Conference Presenation]. https://doi.org/10.2172/1889364

Ebeida, M., Abdelkader, A., Amenta, N., Kouri, D.P., Parekh, O., Phillips, C.A., Winovich, N., & Winovich, N. (2020). Novel Geometric Operations for Linear Programming. https://doi.org/10.2172/1813669

Baek, S., Farzani, A., Radue, M.S., Campbell, Q.T., Dwyer, K.J., Baczewski, A.D., Mo, Y., Misra, S., Butera, R.E., & Butera, R.E. (2020). B- and Al- Doped Delta Layers in Si Using Halogen-Based Precursors [Conference Presenation]. https://doi.org/10.2172/1831356

Ivie, J.A., Tracy, L.A., Mendez Granado, J.P., Gao, X., Anderson, E.M., Schmucker, S.W., de Campbell, A., Scrymgeour, D., Katzenmeyer, A.M., Ward, D., Lu, T., Misra, S., & Misra, S. (2020). Room Temperature Operation of Donor-Based Atomically Precise Devices [Conference Presenation]. https://doi.org/10.2172/1833491

Loe, J.A., Glusa, C., Boman, E.G., Yamazaki, I., Rajamanickam, S., & Rajamanickam, S. (2020). Multiprecision GMRES in Trilinos packages Belos and Kokkos [Conference Presenation]. https://doi.org/10.2172/1832692

Rushdi, A. (2020). Estimating Predictive Uncertainty in Scientific Machine Learning: A Library of Methods and Test Problems [Conference Presenation]. https://doi.org/10.2172/1831758

Hammond, S. (2020). HPC and Designing the Future of Hardware [Presentation]. https://www.osti.gov/biblio/1832672

Vineyard, C.M., Melzera, R., Musuvathy, S., Richards, J.A., Severa, W., Smith, J.D., & Smith, J.D. (2020). Neural Network Approaches for Enabling Automatic Target Recognition [Conference Presenation]. https://doi.org/10.2172/1831567

Hammond, S. (2020). Vanadis - a Configurable Processor Core Model for SST [Presentation]. https://www.osti.gov/biblio/1831761

Patel, R., Trask, N.A., Wood, M.A., Cyr, E.C., & Cyr, E.C. (2020). Learning continuum-scale models from micro-scale dynamics via Operator Regression [Conference Presenation]. https://doi.org/10.2172/1834283

Ciesko, J. (2020). Implementing Flexible Threading Support in Open MPI [Conference Presenation]. https://doi.org/10.2172/1831756

Ceccon, F., Baltean-Lugojan, R., Bynum, M., Li, C., Misener, R., & Misener, R. (2020). GALINI: An extensible mixed-integer quadratically-constrained optimization solver. Optimization Online Repository. https://www.osti.gov/biblio/1834339

Voskuilen, G.R., Hemmert, K.S., & Hemmert, K.S. (2020). Developing SST Element Libraries [Presentation]. https://www.osti.gov/biblio/1830075

Adams, B.M., Hooper, R., & Hooper, R. (2020). Dakota Optimization and Uncertainty Quantification Software:CASL Capabilities and Impact [Conference Presenation]. https://doi.org/10.2172/1832625

Loe, J.A., Glusa, C., Yamazaki, I., Boman, E.G., Rajamanickam, S., & Rajamanickam, S. (2020). Mixed-Precision GMRES in Trilinos [Conference Presenation]. https://doi.org/10.2172/1833786

Portone, T., Leone, R.C., & Leone, R.C. (2020). Flow and Transport Modeling in Fractured Crystalline Rock Using PFLOTRAN and dfnWorks: Crystalline Task F [Presentation]. https://www.osti.gov/biblio/1833141

Bochev, P., D'Elia, M., & D'Elia, M. (2020). Formulation, analysis and computation of an optimization-based local-to-nonlocal coupling method. Results in Applied Mathematics, 9(C). https://doi.org/10.1016/j.rinam.2020.100129

Talaat, K., Cowen, B., Anderoglu, O., & Anderoglu, O. (2020). Method of information entropy for convergence assessment of molecular dynamics simulations. Journal of Applied Physics, 128(13). https://doi.org/10.1063/5.0019078

Newsome, D., Waxman, R., Sengupta, D., Raman, A., Silling, S.A., & Silling, S.A. (2020). Integrated Fluid and Materials Modeling of Environmental Barrier Coatings [Conference Presenation]. https://doi.org/10.2172/1877008

Nielsen, E., Rudinger, K.M., Proctor, T.J., Russo, A., Young, K.C., Blume-Kohout, R.J., & Blume-Kohout, R.J. (2020). Probing quantum processor performance with pyGSTi. Quantum Science and Technology, 5(4). https://doi.org/10.1088/2058-9565/ab8aa4

Silling, S.A. (2020). Using nonlocality to predict the rate of material failure [Conference Presenation]. https://doi.org/10.2172/1826994

Loe, J.A. (2020). Jennifer Loe - Rising Stars Presentation [Conference Presenation]. https://doi.org/10.2172/1826444

Bachman, W.B., Wildey, T., & Wildey, T. (2020). Solving inverse problems for process-structure linkages using asynchronous parallel Bayesian optimization [Conference Paper]. https://www.osti.gov/biblio/1825595

Jalving, J.H., Shin, S., Zavala, V.M., & Zavala, V.M. (2020). Unraveling and Exploiting Complex Structures in Optimization Using OptiGraphs [Conference Presenation]. https://doi.org/10.2172/1829232

Ridzal, D., Kouri, D.P., & Kouri, D.P. (2020). An Augmented Lagrangian Equality-constrained SQP (ALESQP) Method for Function-space Optimization with General Constraints [Conference Presenation]. https://doi.org/10.2172/1877850

Phillips, E., McGregor, D.A.O., Sirajuddin, D., Pointon, T., & Pointon, T. (2020). Variational, Stable, and Self-Consistent Coupling of 3D Electromagnetics to 1D Transmission Lines [Conference Presenation]. https://doi.org/10.2172/1882330

Kroeger, T., Wright, B., Phillips, C.A., Thomas, E., & Thomas, E. (2020). Advanced Data Algorithms & Architectures for Security Monitoring [Conference Presenation]. https://doi.org/10.2172/1889370

Bogle, I., Boman, E.G., Devine, K., Rajamanickam, S., Slota, G., & Slota, G. (2020). Distributed Graph Coloring on Multiple GPUs [Conference Presenation]. https://doi.org/10.2172/1825832

Shadid, J.N. (2020). On differentiable local bounds preserving stabilization for Euler equations. Computer Methods in Applied Mechanics and Engineering, 370. https://doi.org/10.1016/j.cma.2020.113267

Peterson, K., Nikolov, S.V., Bolintineanu, D.S., Clemmer, J.T., Turner, A., & Turner, A. (2020). A Performance Portable Discrete Element Sea Ice Model [Conference Presenation]. https://doi.org/10.2172/1829229

Frank, M.P. (2020). Reversible Computing as a Path Forward for Improving Dissipation-Delay Efficiency in Superconducting Computing [Conference Presenation]. https://doi.org/10.2172/1831040

Reese, W. (2020). Bedrock Inversion and Hyper Differential Sensitivity Analysis for the Shallow Ice Model [Presentation]. https://www.osti.gov/biblio/1825829

Nielsen, E., Proctor, T.J., Rudinger, K.M., Young, K.C., Blume-Kohout, R.J., & Blume-Kohout, R.J. (2020). Using pygsti for quantum processor characterization and benchmarking [Conference Presenation]. https://doi.org/10.2172/1882344

Doyle, C.L., Naugle, A.B., Bernard, M., Lakkaraju, K., Kittinger, R., Sweitzer, M.D., Rothganger, F., & Rothganger, F. (2020). Group formation theory at multiple scales [Conference Presenation]. https://doi.org/10.2172/1831039

Bradley, A.M. (2020). High-order property-preserving semi-Lagrangian tracer transport in E3SM [Conference Presenation]. https://doi.org/10.2172/1831382

Bradley, A.M. (2020). High-order property-preserving physics-dynamics-grid remap in E3SM [Conference Presenation]. https://doi.org/10.2172/1830891

Emery, B., Staid, A., Swiler, L.P., & Swiler, L.P. (2020). Sensitivity and Uncertainty Analysis of Generator Failures under Extreme Temperature Scenarios in Power Systems. https://doi.org/10.2172/1808746

Rajamanickam, S. (2020). Panel:. How to broaden compiler/architecture research participants by utilizing modern infrastructures [Conference Presenation]. https://doi.org/10.2172/1830908

Bosler, P.A., Bradley, A.M., Taylor, M.A., Guba, O., & Guba, O. (2020). Computing challenges in weather and climate modeling [Presentation]. https://www.osti.gov/biblio/1826993

Campbell, Q.T., Ivie, J.A., Bussmann, E., Schmucker, S.W., Baczewski, A.D., Misra, S., & Misra, S. (2020). A multiscale model of the reaction pathway for p-type doping using diborane on Si(100)-2x1 [Conference Presenation]. https://doi.org/10.2172/1829238

Nicholson, B.L. (2020). Recent Developments in Pyomo [Conference Presenation]. https://doi.org/10.2172/1826998

Dang, V., Kotulski, J.D., Rajamanickam, S., & Rajamanickam, S. (2020). ADELUS: A Performance-Portable Dense LU Solver for Distributed-Memory Hardware-Accelerated Systems [Conference Paper]. https://doi.org/10.1007/978-3-030-74224-9_5

Silling, S.A. (2020). Local-nonlocal coupling in Emu/PDMS. https://doi.org/10.2172/1822582

Ciesko, J. (2020). Towards Generic Parallel Programming in Computer Science Education with Kokkos [Conference Presenation]. https://doi.org/10.2172/1831033

Bachman, W.B., Wildey, T., & Wildey, T. (2020). Solving stochastic inverse problems for structure-property linkages using data-consistent inversion [Conference Paper]. https://www.osti.gov/biblio/1825594

Younge, A.J. (2020). Modern Container Runtimes for Exascale computing era [Presentation]. https://www.osti.gov/biblio/1829262

Widener, P., Curry, M.L., & Curry, M.L. (2020). CephFS experiments on stria.sandia.gov. https://doi.org/10.2172/1814441

Acer, S. (2020). Rising Star: Seher Acer [Presentation]. https://www.osti.gov/biblio/1825837

Ates, E., Aksar, B., Leung, V.J., Coskun, A.K., & Coskun, A.K. (2020). Explainable Machine Learning Frameworks for Managing HPC Systems [Conference Presenation]. https://doi.org/10.2172/1829224

Siirola, J.D., Dowling, A., & Dowling, A. (2020). Grid and Market Integration via Multi-Scale Approaches [Presentation]. https://www.osti.gov/biblio/1877533

Bussmann, E., Ivie, J.A., Bachman, W.B., Campbell, Q.T., Brickson, M.I., Schultz, P.A., Muller, R.P., Baczewski, A.D., Mounce, A.M., Misra, S., & Misra, S. (2020). Stochastic atomistic disorder in atomic-precision doping [Conference Presenation]. https://doi.org/10.2172/1831038

Frank, M.P. (2020). Special Session: Exploring the Ultimate Limits of Adiabatic Circuits [Conference Presenation]. https://doi.org/10.2172/1825605

Plimpton, S.J. (2020). Rendezvous algorithms for large-scale particle simulations [Presentation]. https://www.osti.gov/biblio/1825827

Grant, R., Schonbein, W., Levy, S.L.N., & Levy, S.L.N. (2020). RaDD Runtimes:Radical and Different Distributed Runtimes with SmartNICs [Conference Presenation]. https://doi.org/10.2172/1825980

Bertagna, L., Guba, O., Bradley, A.M., Taylor, M.A., Salinger, A.G., Foucar, J.G., Rajamanickam, S., Larkin, J., & Larkin, J. (2020). A performance-portable nonhydrostatic atmospheric dycore for the Energy Exascale Earth System Model running at cloud-resolving resolutions [Conference Presenation]. https://doi.org/10.2172/1830973

Younge, A.J. (2020). Chronicles of Astra: Challenges and Lessons from theFirst Petascale Arm Supercomputer [Conference Presenation]. https://doi.org/10.2172/1825973

Moore, S.G. (2020). Kokkos and SNAP work in support of EXAALT and LAMMPS [Presentation]. https://www.osti.gov/biblio/1830969

Leonard, F., Vineyard, C.M., & Vineyard, C.M. (2020). Neuromorphic Computing with Optical Materials [Presentation]. https://www.osti.gov/biblio/1825619

Rajamanickam, S. (2020). Intersection of Machine Learning and Scientific Simulations: Architectures and Applications perspectives [Conference Presenation]. https://doi.org/10.2172/1826454

Robinson, A.C., Porwitzky, A., & Porwitzky, A. (2020). Pulsed power accelerator surface Joule heating models. Physics of Plasmas, 27(10). https://doi.org/10.1063/5.0022064

Laird, C., Bynum, M., Castillo, A., Knueven, B., Siirola, J.D., & Siirola, J.D. (2020). Decomposing Optimization-Based Bounds Tightening Problems Via Graph Partitioning [Conference Presenation]. https://doi.org/10.2172/1826429

Lewis, R.M., Mannos, T.J., Kaplan, S.B., Rose, J., Frank, M.P., Pennington, A.M., & Pennington, A.M. (2020). Analysis of PTL routes for LSI of superconducting logic circuits [Conference Poster]. https://doi.org/10.2172/1826986

Ates, E., Aksar, B., Leung, V.J., Coskun, A.K., & Coskun, A.K. (2020). Explainable Machine Learning Frameworks for Managing HPC Systems [Conference Paper]. https://www.osti.gov/biblio/1830968

Rappaport, A., Shadid, J.N., Chauhdry, J.H., & Chauhdry, J.H. (2020). An a posteriori error analysis of the exact penalty formulation for stationary incompressible MHD [Presentation]. https://www.osti.gov/biblio/1824914

Ceccon, F., Misener, R., Baltean-Lugojan, R., Bynum, M., & Bynum, M. (2020). GALINI: An extensible MIQCQP solver [Conference Presenation]. https://doi.org/10.2172/1830974

Lobser, D., Blain, M., Haltli, R., Hogle, C.W., Landahl, A.J., Morrison, B., Revelle, M., Rudinger, K.M., Russo, A., Ruzic, B., Stick, D., van der Wall, J.W., Yale, C.G., Clark, S.M., & Clark, S.M. (2020). Classical and Quantum Control of a Trapped Ion Quantum Computing Testbed System [Conference Presenation]. https://doi.org/10.2172/1825585

Milewicz, R.M., Willenbring, J.M., Vigil, D., & Vigil, D. (2020). Research Develop Deploy: Building a Full Spectrum Software Engineering and Research Department [Conference Paper]. https://www.osti.gov/biblio/1830970

Harvey, E.C., Mundt, M.R., & Mundt, M.R. (2020). How Research Software Engineers Can Support Scientific Software [Conference Paper]. https://www.osti.gov/biblio/1826440

Levy, S.L.N., Ferreira, K., & Ferreira, K. (2020). Evaluating MPI Message Size Summary Statistics [Conference Proceeding]. https://www.osti.gov/biblio/1825984

Aimone, J.B. (2020). Preparing for the Next Generation of Brain-Inspired AI [Conference Presenation]. https://doi.org/10.2172/1826436

Bynum, M., Castillo, A., Ceccon, F., Knueven, B., Laird, C., Siirola, J.D., & Siirola, J.D. (2020). Coramin: An Open-Source Toolset for Developing MINLP Algorithms [Conference Presenation]. https://doi.org/10.2172/1826430

Carvey, B.J., Garasi, C.J., Bolstad, M., & Bolstad, M. (2020). Impactful Visualizations [Conference Paper]. https://www.osti.gov/biblio/1825831

Bettencourt, M.T. (2020). Achieving Performance on Next-Generation Hardware with PIC Codes [Presentation]. https://www.osti.gov/biblio/1829257

Sahakian, M., Thorpe, J., Verzi, S.J., Musuvathy, S., Vugrin, E., Dykstra, M., Umbenhower, M.L., & Umbenhower, M.L. (2020). AIRSS: Adaptive Intrusion Response for Space Systems [Presentation]. https://www.osti.gov/biblio/1830982