Publications

Hu, J.J., Prokopenko, A., & Prokopenko, A. (2014). Trilinos/MueLu: Node-level Parallelism [Presentation]. https://www.osti.gov/biblio/1241725

Rajamanickam, S., Edwards, H.C., Trott, C.R., Sunderland, D., & Sunderland, D. (2014). Kokkos a Manycore DevicePerformance Portability Libraryfor C++ HPC Applications [Presentation]. https://www.osti.gov/biblio/1576106

Demeshko, I., Taylor, M.A., Norman, M.R., & Norman, M.R. (2014). HOMME code on hybrid architectures: porting advection limiters to GPU [Presentation]. https://www.osti.gov/biblio/1576107

Kramer, R.M.J., Siefert, C., Voth, T.E., & Voth, T.E. (2014). Constrained Interpolation Remap for Sub-Cell Resolved Multi-Material Electromagnetics [Presentation]. https://www.osti.gov/biblio/1576109

Frischknecht, A.L., Parks, M.L., & Parks, M.L. (2014). Electrical double layers and differential capacitance in molten salts from density functional theory. Journal of Chemical Physics, 141(5). https://doi.org/10.1063/1.4891368

Bachman, W.B., Wu, X., Ward, D.R., Prance, J.R., Kim, D., Mohr, R.T., Shi, Z., Lagally, M.G., Friesen, M., Coppersmith, S.N., Eriksson, M.A., & Eriksson, M.A. (2014). Two-axis control of a singlet-triplet qubit with an integrated micromagnet. Proceedings of the National Academy of Sciences of the United States of America, 111(33), pp. 11938-11942. https://doi.org/10.1073/pnas.1412230111

Edwards, H.C. (2014). Kokkos Update [Presentation]. https://www.osti.gov/biblio/1497532

Baczewski, A.D., Shulenburger, L., Desjarlais, M.P., Magyar, R.J., & Magyar, R.J. (2014). Dielectric Response in Extreme Conditions Using Time-Dependent Density Functional Theory [Presentation]. https://www.osti.gov/biblio/1497587

Silling, S.A., Askari, A., & Askari, A. (2014). Practical peridynamics [Presentation]. https://www.osti.gov/biblio/1497590

Burnham, L., Warrender, C., Cole, K., Forsythe, J.C., Haass, M.J., Adams, S.S., & Adams, S.S. (2014). Improving Grid Resilience Through Informed Decision-Making [Presentation]. https://www.osti.gov/biblio/1497595

Vaughan, C.T., Barrett, R.F., Roweth, D., & Roweth, D. (2014). Communication Explorations for Adaptive Mesh Refinement Motivated by Emerging and Future Architectures [Presentation]. https://www.osti.gov/biblio/1569000

Trask, N., Maxey, M., Kim, K., Perego, M., Parks, M.L., Yang, K., Xu, J., & Xu, J. (2014). A consistent second order projection scheme for simulating transient viscous flow with Smoothed Particle Hydrodynamics. CMAME. https://www.osti.gov/biblio/1183073

Lehoucq, R.B., Boman, E.G., Devine, K., Thornquist, H., Slattengren, N., & Slattengren, N. (2014). Installing the Anasazi Eigensolver Package with Application to Some Graph Eigenvalue Problems. https://doi.org/10.2172/1494630

Mitchell, S.A., Mohamed, M.A., Mahmoud, A.H., Ebeida, M., & Ebeida, M. (2014). Delaunay quadrangulation by two-coloring vertices - extended version with quad-quality proofs appendix [Conference Poster]. https://www.osti.gov/biblio/1315030

Debonis, D., Grant, R., Olivier, S.L., Levenhagen, M., Kelly, S.M., Bachman, W.B., Bachman, W.B., & Bachman, W.B. (2014). A Power API for the HPC Community [Presentation]. https://www.osti.gov/biblio/1497613

Teranishi, K., Gamell Balmana, M., Heroux, M.A., Parashar, M., & Parashar, M. (2014). Local Recovery of PDE Solvers from Hard Failures [Conference Poster]. https://www.osti.gov/biblio/1315325

Bosler, P.A., Krasny, R., Jablonowski, C., & Jablonowski, C. (2014). Adaptive Particle / Panel Methods for Global Geophysical Flow [Presentation]. https://www.osti.gov/biblio/1497615

Bachman, W.B., Jacobson, N.T., Nielsen, E., Baczewski, A.D., Moussa, J.E., Montano, I., Muller, R.P., & Muller, R.P. (2014). Rapid simulation of donors in silicon using internally consistent effective mass theory [Presentation]. https://www.osti.gov/biblio/1497772

Cyr, E.C., Shadid, J.N., Kuzmin, D., & Kuzmin, D. (2014). Algebraic Linearity Preserving Flux Limiting for Systems of PDEs [Presentation]. https://www.osti.gov/biblio/1497776

Moussa, J.E. (2014). Maximum entropy quantum simulation [Presentation]. https://www.osti.gov/biblio/1497786

Bachman, W.B., Jacobson, N.T., Nielsen, E., Baczewski, A.D., Moussa, J.E., Montano, I., Muller, R.P., & Muller, R.P. (2014). Accurate and efficient simulations of donors in silicon. arXiv posting. https://www.osti.gov/biblio/1183089

Edwards, H.C. (2014). An Update on Kokkos Our C++ Library for Manycore Performance Portability [Presentation]. https://www.osti.gov/biblio/1497798

Brien, M.J.'., Foiles, S.M., & Foiles, S.M. (2014). H-induced inter-granular fracture:

Theoretical and modeling effort
 at Sandia National Laboratories [Presentation]. https://www.osti.gov/biblio/1502146

Klise, K.A., Siirola, J.D., Hart, D., Hart, W.E., Phillips, C.A., Haxton, T., Murray, R., Janke, R., Taxon, T., Laird, C., Seth, A., Hackebeil, G., McGee, S., Mann, A., & Mann, A. (2014). Water Security Toolkit User Manual Version 1.2. https://doi.org/10.2172/1150849

Mitchell, J.A. (2014). A Simple One Step Line Search For Use in Quasi-static Solid Mechanics Contact Calculations [Presentation]. https://www.osti.gov/biblio/1502170

Lehoucq, R.B., Reu, P.L., Turner, D.Z., & Turner, D.Z. (2014). A nonlocal strain measure for digital image correlation. Strain, a journal in experimental mechanics. https://www.osti.gov/biblio/1183101

Bachman, W.B., Kelly, S.M., Bachman, W.B., Grant, R., Olivier, S.L., Levenhagen, M., Debonis, D., & Debonis, D. (2014). High Performance Computing - Power Application Programming Interface Specification. https://doi.org/10.2172/1151809

Brightwell, R.B. (2014). Hobbes: Using Virtualization to Enable Exascale Applications [Presentation]. https://www.osti.gov/biblio/1502301

Jean-Baptiste, G., Lofstead, G.F., Oldfield, R., & Oldfield, R. (2014). Delta: Data Reduction for Integrated Application Workflows} [Conference Poster]. https://www.osti.gov/biblio/1563116

Doerfler, D.W. (2014). Trinity Advanced Technology System Overview [Presentation]. https://www.osti.gov/biblio/1502303

Lane, J.M.D., Silling, S.A., Littlewood, D.J., & Littlewood, D.J. (2014). Brittle Fracture from Molecular to Engineering Scales [Presentation]. https://www.osti.gov/biblio/1502304

Lehoucq, R.B., du, Q., Tartakowsky, D., & Tartakowsky, D. (2014). Integral approximations to classical diffusion and smoothed particle hydrodynamics. CMAME journal. https://www.osti.gov/biblio/1183107

Cyr, E.C., Phillips, E., Shadid, J.N., Pawlowski, R., Elman, H.C., & Elman, H.C. (2014). A BLOCK PRECONDITIONER FOR AN EXACT PENALTY FORMULATION FOR STATIONARY MHD. SIAM Journal on Scientific Computing. https://www.osti.gov/biblio/1183108

Muller, R.P., Metodi, T.S., Blume-Kohout, R.J., Landahl, A.J., Carroll, M.S., Maunz, P.L.W., & Maunz, P.L.W. (2014). Science and Engineering of Quantum Information Systems: Robust Devices and Operations [Presentation]. https://www.osti.gov/biblio/1502312

Walsh, T., Aquino, W., Ridzal, D., Kouri, D.P., van Bloemen Waanders, B.G., & van Bloemen Waanders, B.G. (2014). A massively parallel framework for source and material inverse problems in structural acoustics [Presentation]. https://www.osti.gov/biblio/1502315

Shulenburger, L., Baczewski, A.D., Zhu, Z., Guan, J., Tomanek, D., & Tomanek, D. (2014). Quantum Monte Carlo Studies of Bulk and Few-/Single- Layer Allotropes of Phosphorus [Presentation]. https://www.osti.gov/biblio/1502316

Bachman, W.B., Brost, R., McLendon, W., Parekh, O., Woodbridge, D.M., Strip, D.R., & Strip, D.R. (2014). A Computational Framework for Ontologically Storing and Analyzing Very Large Overhead Image Sets [Conference Poster]. https://www.osti.gov/biblio/1315002

Silling, S.A. (2014). Peridynamic modeling of impact damage in composites [Presentation]. https://www.osti.gov/biblio/1502330

Hoekstra, R.J. (2014). FY14 L2 Milestone Overview [Presentation]. https://www.osti.gov/biblio/1502338

Foucar, J.G. (2014). Converting Projects from STK Classic to STK. https://doi.org/10.2172/1171561

Trott, C.R. (2014). Kokkos: Enabling manycore performance portability through polymorphic memory access patterns. Journal of Parallel and Distributed Computing, 74(12), pp. 3202-3216. https://doi.org/10.1016/j.jpdc.2014.07.003

Rajamanickam, S., Parks, M.L., Collis, S.S., & Collis, S.S. (2014). Computer Science Research Institute (CSRI) Summer Proceedings 2013. https://doi.org/10.2172/1459606

Jacobson, N.T., Moussa, J.E., & Moussa, J.E. (2014). Quadratic constrained mixed discrete optimization with an adiabatic quantum optimizer. Physical Review. A, 90(1). https://doi.org/10.1103/PhysRevA.90.012308

Siefert, C., Kramer, R.M.J., & Kramer, R.M.J. (2014). Local Smoothers for CDFEM with Sub-Element Discontinuities [Presentation]. https://www.osti.gov/biblio/1496944

Hoekstra, R.J. (2014). Don Cook Briefing: Part 1 - HPC Background [Presentation]. https://www.osti.gov/biblio/1496946

Rajan, M., Doerfler, D.W., Barrett, R.F., Stevenson, J.O., Agelastos, A.M., Shaw, R., Meyer, H.E., & Meyer, H.E. (2014). Experiences with Sandia National Laboratories HPC applications and MPI performance [Conference Poster]. https://www.osti.gov/biblio/1315121

Witzel, W., Young, K.C., Das Sarma, S., & Das Sarma, S. (2014). Converting a real quantum bath to an effective classical noise. Physical Review B, 90(11), pp. 1-6. https://doi.org/10.1103/PhysRevB.90.115431

Perego, M. (2014). Greenland Icesheet Initialization: Optimal Control and Bayesian Calibration Approaches [Presentation]. https://www.osti.gov/biblio/1496702

Demeshko, I., Edwards, H.C., Heroux, M.A., Phipps, E.T., Salinger, A.G., & Salinger, A.G. (2014). A performance-portable implementation of the Albany ice sheet model: Kokkos approach [Presentation]. https://www.osti.gov/biblio/1496705

Peterson, K., Taylor, M.A., & Taylor, M.A. (2014). Transport Methods for the CAM Spectral Element Dynamical Core [Presentation]. https://www.osti.gov/biblio/1496706

Berry, J., Kearns, A., Phillips, C.A., Saia, J., & Saia, J. (2014). Finding a planted clique in a distributed social network [Presentation]. https://www.osti.gov/biblio/1496707

Shan, T., Thompson, A.P., & Thompson, A.P. (2014). Micron-scale Reactive Atomistic Simulations of Void Collapse and Hotspot Growth in Pentaerythritol Tetranitrate. The 15th International Detonation Symposium. https://www.osti.gov/biblio/1182980

Gallis, M.A., Torczynski, J.R., Plimpton, S.J., Rader, D.J., Koehler, T.P., & Koehler, T.P. (2014). Direct Simulation Monte Carlo: The Quest for Speed [Conference Poster]. https://doi.org/10.1063/1.4902571

Shan, T., Wixom, R.R., Thompson, A.P., & Thompson, A.P. (2014). Nanoscale Void-Enhanced Initiation in Hexanitrostilbene. 15th International Detonation Symposium. https://www.osti.gov/biblio/1182982

Phipps, E.T., Edwards, H.C., Hu, J.J., Webster, C.G., & Webster, C.G. (2014). Realizing Exascale Performance for Uncertainty Quantification [Presentation]. https://www.osti.gov/biblio/1496922

Phipps, E.T., Edwards, H.C., & Edwards, H.C. (2014). Improving Performance of Sampling-Based Uncertainty Quantification on Advanced Computing Architectures Through Embedded Ensemble Propagation [Presentation]. https://www.osti.gov/biblio/1496672

Wills, A.E. (2014). Back to the Basics: Artificial Viscosity and other topics in Predictive Engineering Simulations [Presentation]. https://www.osti.gov/biblio/1496674

Shan, T., Thompson, A.P., & Thompson, A.P. (2014). Micron-scale Reactive Atomistic Simulation of Void Collapse and Hotspot Growth in pentaerythritol tetranitrate (PETN) [Presentation]. https://www.osti.gov/biblio/1496676

Kouri, D.P. (2014). Controlling Uncertainty in PDE-Constrained Optimization [Presentation]. https://www.osti.gov/biblio/1496680

Tezaur, I.K., Barone, M., Fike, J., Arunajatesan, S., van Bloemen Waanders, B.G., & van Bloemen Waanders, B.G. (2014). Energy-Stable Galerkin Reduced Order Models for Nonlinear Compressible Flow [Presentation]. https://www.osti.gov/biblio/1496555

Shan, T., Wixom, R.R., Thompson, A.P., & Thompson, A.P. (2014). Nanoscale Void-Enhanced Initiation in Hexanitrostilbene: Reactive Molecular Dynamics Simulations [Presentation]. https://www.osti.gov/biblio/1496685

Robinson, A.C., Drake, R.R., Carpenter, J.H., Lemke, R.W., Wills, A.E., & Wills, A.E. (2014). Enabling Hydrocode Meta-Analysis: The ALEGRA-DAKOTA Experience [Presentation]. https://www.osti.gov/biblio/1496686

Robinson, A.C., Drake, R.R., Carpenter, J.H., Wills, A.E., Rider, W., Debusschere, B.J., & Debusschere, B.J. (2014). Effective Representation and Propagation of Uncertainty Through Tabular Multiphase Equation-of-State Models [Presentation]. https://www.osti.gov/biblio/1496687

Eldred, M. (2014). Building on the Foundation: Optimization Under Uncertainty and Related Topics [Presentation]. https://www.osti.gov/biblio/1496693

Gao, X., Mamaluy, D., & Mamaluy, D. (2014). Quantum Transport Simulation and Optimization of Below-6-nm Si FinFETs with HfSiON/SiO2 Gate Dielectrics [Presentation]. https://www.osti.gov/biblio/1496695

Ober, C.C., Smith, T.M., van Bloemen Waanders, B.G., Collis, S.S., & Collis, S.S. (2014). Large Scale Optimization for Non-Invasive Testing With Discontinuous Galerkin Methods [Presentation]. https://www.osti.gov/biblio/1496527

Pawlowski, R. (2014). CASL Milestone L2:PHI.P9.01 Challenge Problem Coupling [Presentation]. https://www.osti.gov/biblio/1496534

Valentin, M.A. (2014). Application of Second-Order Optimization Algorithms to Topology Optimization Problems [Presentation]. https://www.osti.gov/biblio/1496552

Wolf, M., Miller, B., & Miller, B. (2014). Detecting Anomalies in Very Large Graphs [Presentation]. https://www.osti.gov/biblio/1496547

Rajamanickam, S., Slota, G.M., Madduri, K., & Madduri, K. (2014). PULP: Scalable Multi-Objective Multi-Constraint Partitioning for Small-World Networks [Conference Poster]. https://www.osti.gov/biblio/1315575

Moreland, K. (2014). VTK-m: A Foundation (SDAV Meeting) [Presentation]. https://www.osti.gov/biblio/1496542

Resnick, D.R., Ignatowski, M., & Ignatowski, M. (2014). Proposing an Abstracted Interface and Protocol for Computer Systems. https://doi.org/10.2172/1171432

Lin, P.T., Bettencourt, M.T., Domino, S.P., Fisher, T.C., Hoemmen, M.F., Hu, J.J., Phipps, E.T., Prokopenko, A., Rajamanickam, S., Siefert, C., Kennon, ., Kennon, S.R., & Kennon, S.R. (2014). Towards extreme-scale simulations for low-Mach fluids with second-generation Trilinos. Parallel Processing Letters, 24(04), pp. 1-20. https://doi.org/10.1142/S0129626414420055

Shadid, J.N. (2014). On the Development of an Implicit Stabilized FE Solver for Resistive MHD with Integrated Adjoint Error-Estimation [Conference Poster]. https://www.osti.gov/biblio/1315407

Shadid, J.N. (2014). A Scalable Implicit FE Solver for Resistive MHD with Integrated Adjoint Error-estimation and Sensitivity Analysis [Conference Poster]. https://www.osti.gov/biblio/1315608

Lin, P.T. (2014). Towards Scalable Fully-Coupled Algebraic Multigrid Preconditioners for Magnetohydrodynamic Simulations [Presentation]. https://www.osti.gov/biblio/1496539

Lin, P.T. (2014). Next-generation Trilinos for very large scale low Mach CFD simulations: a case study [Presentation]. https://www.osti.gov/biblio/1496540

Hu, J.J., Phipps, E.T., & Phipps, E.T. (2014). A Comparison of Algebraic Multigrid Preconditioning Approaches for Sampling-Based Uncertainty Propagation on Advanced Computing Architectures [Presentation]. https://www.osti.gov/biblio/1496090

Ebeida, M. (2014). Improved Poisson-disk Sampling for Meshing Applications [Presentation]. https://www.osti.gov/biblio/1496092

Resnick, D.R., Ignatowski, M., & Ignatowski, M. (2014). Proposing an Abstracted Interface and Protocol for Computer Systems. https://doi.org/10.2172/1171427

Silling, S.A. (2014). Peridynamics as a multiscale method [Conference Poster]. https://www.osti.gov/biblio/1315430

Landahl, A.J., Ryan-Anderson, C., & Ryan-Anderson, C. (2014). Quantum computing by color-code lattice surgery. http://www.arXiv.org and Physical Review A. https://www.osti.gov/biblio/1182967

Landahl, A.J., Ryan-Anderson, C., & Ryan-Anderson, C. (2014). Quantum LDPC Workshop: Quantum computing by color-code lattice surgery [Presentation]. https://www.osti.gov/biblio/1496516

Edwards, H.C. (2014). Kokkos Path Forward: Spaces Policies Defaults C++11 and Tasks [Presentation]. https://www.osti.gov/biblio/1494423

Michelsen, H.A., Bambha, R., Liu, Z., Schrader, P., Ivey, M.D., Roesler, E.L., Taylor, M.A., Lafranchi, B.W., Helsel, F.M., Najm, H.N., Sargsyan, K., Safta, C., & Safta, C. (2014). Black Carbon Methane and Carbon Dioxide: Measurement Modeling and Source Attribution [Presentation]. https://www.osti.gov/biblio/1494427

Bachman, W.B., Kim, D., Simmons, C.B., Prance, J.R., Mohr, R.T., Shi, Z., Blume-Kohout, R.J., Nielsen, E., Savage, D.E., Lagally, M.G., Friesen, M., Coppersmith, S.N., Eriksson, M.A., & Eriksson, M.A. (2014). Si/SiGe spin, charge, and hybrid qubits [Presentation]. https://www.osti.gov/biblio/1503474

Witzel, W., Carroll, M.S., Muller, R.P., & Muller, R.P. (2014). Gap protection and dynamical decoupling for reliable multi-qubit gates [Presentation]. https://www.osti.gov/biblio/1494431

Devine, K., Diamond, G., Ibanez, D., Leung, V.J., Prokopenko, A., Rajamanickam, S., Shephard, M., Smith, C., & Smith, C. (2014). FASTMath Partitioning and Task Placement [Presentation]. https://www.osti.gov/biblio/1494434

Wills, A.E. (2014). Assessing the standard Molybdenum projector augmented wave VASP potentials. https://doi.org/10.2172/1326033

Devine, K., Rajamanickam, S., Prokopenko, A., Boman, E.G., & Boman, E.G. (2014). Zoltan Three-Slide Overview for ATPESC 2014 [Presentation]. https://www.osti.gov/biblio/1494439

Eldred, M., Debusschere, B.J., Chowdhary, K., Jakeman, J.D., Najm, H.N., Safta, C., Sargsyan, K., & Sargsyan, K. (2014). Sandia Software Enabling Extreme-Scale Uncertainty Quantification [Presentation]. https://www.osti.gov/biblio/1494264

Tikare, V., Weck, P.F., Schultz, P.A., Clark, B.G., & Clark, B.G. (2014). Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review. https://doi.org/10.2172/1163299

Perego, M. (2014). PISCEES Development of the FELIX Dynamical Cores for Land Ice Modeling [Presentation]. https://www.osti.gov/biblio/1494278

Najm, H.N., Eldred, M., Debusschere, B.J., Chowdhary, K., Jakeman, J.D., Safta, C., Sargsyan, K., & Sargsyan, K. (2014). An Overview of Select UQ Algorithms and their Utility in Applications [Presentation]. https://www.osti.gov/biblio/1494413

Peterson, K., Bochev, P., Ridzal, D., & Ridzal, D. (2014). Optimization-Based Transport of Passive Tracers [Presentation]. https://www.osti.gov/biblio/1494442

Moreland, K., Oldfield, R., & Oldfield, R. (2014). Formal Metrics for Large-Scale Parallel Performance [Conference Poster]. https://doi.org/10.1007/978-3-319-20119-1_34

Ridzal, D. (2014). Optimization-based models and algorithms for feature-preserving %0Cfinite element transport [Presentation]. https://www.osti.gov/biblio/1496082

Olivier, S.L., Stark, D., & Stark, D. (2014). The Qthreads Lightweight Multithreading Library [Presentation]. https://www.osti.gov/biblio/1496523

Ober, C.C. (2014). Development High-Performance Computing Capabilities for Non-Invasive Testing of Nuclear Weapons Systems - CCC7 [Presentation]. https://www.osti.gov/biblio/1496923

Silling, S.A., Mitchell, J.A., & Mitchell, J.A. (2014). Unifying the mechanics of continua cracks and particles [Presentation]. https://www.osti.gov/biblio/1496960