Publications

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

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

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

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

Bosler, P.A., Guba, O., Taylor, M.A., Bradley, A.M., Nadiga, B., Sun, X., Maltrud, M., & Maltrud, M. (2020). Compact performance portable semi-Lagrangian algorithms for E3SM [Presentation]. https://www.osti.gov/biblio/1830934

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

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

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

Kommareddy, V.R., Hughes, C., Hammond, S., Awad, A., & Awad, A. (2020). PreFAM: Understanding the Impact of Prefetching in Fabric-Attached Memory Architectures [Conference Poster]. ACM International Conference Proceeding Series. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85103551552&origin=inward

Gao, X., Huang, A., Trask, N.A., Reza, S., & Reza, S. (2020). Physics-informed graph neural network for circuit compact model development [Conference Poster]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85096242406&origin=inward

Gao, X., Tracy, L.A., Anderson, E.M., de Campbell, A., Ivie, J.A., Lu, T., Mamaluy, D., Schmucker, S.W., Misra, S., & Misra, S. (2020). Modeling assisted room temperature operation of atomic precision advanced manufacturing devices [Conference Poster]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85096243933&origin=inward

Mendez Granado, J.P., Mamaluy, D., Gao, X., Anderson, E.M., de Campbell, A., Ivie, J.A., Lu, T., Schmucker, S.W., Misra, S., & Misra, S. (2020). Quantum transport in Si:P δ-layer wires [Conference Poster]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. https://doi.org/10.23919/sispad49475.2020.9241610

Teranishi, K., Dunlavy, D.M., Myers, J.M., Barrett, R.F., & Barrett, R.F. (2020). SparTen: Leveraging Kokkos for On-node Parallelism in a Second-Order Method for Fitting Canonical Polyadic Tensor Models to Poisson Data [Conference Poster]. 2020 IEEE High Performance Extreme Computing Conference, HPEC 2020. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85099384524&origin=inward

Myers, J.M., Dunlavy, D.M., Teranishi, K., Hollman, D.S., & Hollman, D.S. (2020). Parameter Sensitivity Analysis of the SparTen High Performance Sparse Tensor Decomposition Software [Conference Poster]. 2020 IEEE High Performance Extreme Computing Conference, HPEC 2020. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85099395134&origin=inward

Santos, A., Bolintineanu, D.S., Grest, G.S., Lechman, J.B., Plimpton, S.J., Srivastava, I., Silbert, L.E., & Silbert, L.E. (2020). Granular packings with sliding, rolling, and twisting friction. Physical Review E, 102(3). https://doi.org/10.1103/physreve.102.032903

Kouri, D.P., Surowiec, T., & Surowiec, T. (2020). Risk-averse optimal control of semilinear elliptic PDEs. ESAIM: Control, Optimisation and Calculus of Variations, 26. https://doi.org/10.1051/cocv/2019061

Elwazir, A., Badawy, A.A., Aaziz, O., Cook, J., & Cook, J. (2020). LDMS-GPU: Lightweight Distributed Metric Service (LDMS) for NVIDIA GPGPUs. https://doi.org/10.2172/1813665

Xiao, T.P., Bennett, C., Hu, X., Feinberg, B., Jacobs-Gedrim, R.B., Agarwal, S., Brunhaver, J., Friedman, J., Incorvia, J.A., Marinella, M., & Marinella, M. (2020). Energy-efficient stateful logic with magnetic domain walls [Presentation]. https://doi.org/10.1117/12.2568658

Mendez Granado, J.P., Mamaluy, D., Gao, X., Anderson, E.M., de Campbell, A., Ivie, J.A., Lu, T., Schmucker, S.W., Misra, S., & Misra, S. (2020). Quantum transport in Si:P δ-layer wires [Conference Poster]. https://www.osti.gov/biblio/1820274

Arndt, D., Bangerth, W., Blais, B., Clevenger, T.C., Fehling, M., Heister, T., Heltai, L., Maier, M., Munch, P., Pelteret, J.P., Rastak, R., Tomas, I., Turcksin, B., Wang, Z., Wells, D., & Wells, D. (2020). The deal.II library, Version 9.2 [Conference Poster]. Journal of Numerical Mathematics. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85089828460&origin=inward

Stephens, J.A. (2020). Managing execution of Dakota evaluations with Parsl [Conference Presenation]. https://doi.org/10.2172/1824264

Grant, R., Dosanjh, M.G.F., & Dosanjh, M.G.F. (2020). MPI Partitioned Communication [Conference Poster]. https://www.osti.gov/biblio/1822633

Trott, C.R. (2020). Kokkos: Building an Open Source Community [Presentation]. https://www.osti.gov/biblio/1822312

Silling, S.A. (2020). Peridynamic Modeling of a Stress Pulse in a Heterogeneous Medium [Conference Poster]. https://www.osti.gov/biblio/1822636

Geraci, G., Eldred, M., Gorodetsky, A., Jakeman, J.D., & Jakeman, J.D. (2020). Multifidelity Strategies in UQ: an overview on some recent trends in sampling based approaches [Conference Poster]. https://www.osti.gov/biblio/1822111

Bertagna, L., Guba, O., Foucar, J.G., Taylor, M.A., Bradley, A.M., Salinger, A.G., & Salinger, A.G. (2020). Performance-portability progress for the ultra-high resolution non-hydrostatic atmosphere model in E3SM [Conference Poster]. https://www.osti.gov/biblio/1822651

Younge, A.J. (2020). ECP Container Status 2020 [Presentation]. https://www.osti.gov/biblio/1823232

Olivier, S.L. (2020). OpenMP 5.1 Tasking Enhancements [Conference Presenation]. https://doi.org/10.2172/1824729

Rudinger, K.M., Morrison, B., Russo, A., & Russo, A. (2020). Using the Jaqal Emulator [Presentation]. https://www.osti.gov/biblio/1821560

Moore, S.G., Thompson, A.P., & Thompson, A.P. (2020). Solidification Kinetics [Presentation]. https://www.osti.gov/biblio/1822625

Frank, M.P. (2020). Device & Circuit Technologies for Reversible Computing?An Introduction [Conference Poster]. https://www.osti.gov/biblio/1823230

Anwar, A. (2020). Evolving Spiking Circuit Motifs Using Weight Agnostic Neural Networks [Conference Proceeding]. https://www.osti.gov/biblio/1823393

Landahl, A.J. (2020). Quantum Scientific Open User Testbed (QSCOUT) and Jaqal the Quantum Assembly Language [Presentation]. https://www.osti.gov/biblio/1822638

Wofford, Q., Bridges, P., Widener, P., & Widener, P. (2020). Using container image layers to build portable and configurable HPC software stacks [Conference Poster]. https://www.osti.gov/biblio/1820896

Bachman, W.B., Smith, M.R., Field, R.V., Maxfield, T., Rushdi, A., & Rushdi, A. (2020). Assessing Global Sensitivity Analysis for Credibility in Machine Learning Explainability [Presentation]. https://www.osti.gov/biblio/1820562

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 Poster]. https://www.osti.gov/biblio/1820897

Rackers, J.A. (2020). Predicting the Behavior of Biomolecules with Quantum Physics [Presentation]. https://www.osti.gov/biblio/1821311

Frank, M.P. (2020). Novel Reversible Devices and Systems Implications [Conference Poster]. https://www.osti.gov/biblio/1819260

Trott, C.R. (2020). Kokkos: Present and Future [Conference Poster]. https://www.osti.gov/biblio/1819043

Taylor, M.A. (2020). Incorporating GPUs into Earth System Science [Conference Presenation]. https://doi.org/10.2172/1823234

Jared, B.H., Damm, D., Stacy, S.C., Saiz, D.J., Moore, D., Epstein, C., Boyce, B.L., Jensen, S.C., McCarthy, R., Alberdi, R., Heiden, M.J., Robbins, J., Ruggles, T., Branch, B.A., & Branch, B.A. (2020). Lattice Structures for Dynamic Impact Environments [Conference Poster]. https://www.osti.gov/biblio/1882497

Cannon, M.J., Rodrigues, A., Black, D.A., Black, J.D., Bustamante, L., Feinberg, B., Quinn, H., Clark, L., Brunhaver, J.S., Barnaby, H., McLain, M., Agarwal, S., Marinella, M., & Marinella, M. (2020). Fault Tracking and Modeling in Advanced Node Processors of Single Event Effects [Conference Poster]. https://www.osti.gov/biblio/1822293

Kouri, D.P. (2020). Randomized Sketching for Low-Memory Dynamic Optimization [Presentation]. https://www.osti.gov/biblio/1824742

Landahl, A.J. (2020). Webinar: Jaqal Overview [Presentation]. https://www.osti.gov/biblio/1821572

Templet, G.J., Glickman, M.R., Kordenbrock, T., Levy, S.L.N., Lofstead, G.F., Mauldin, J., Otahal, T.J., Ulmer, C.D., Widener, P., Oldfield, R., & Oldfield, R. (2020). FY20 CSSE L2 Milestone 7186 [Presentation]. https://www.osti.gov/biblio/1820290

Russo, A. (2020). Installing JaqalPaq [Presentation]. https://www.osti.gov/biblio/1821571

Frank, M.P. (2020). Architectural Algorithmic and Systems Engineering Issues for Reversible Computing [Conference Presenation]. https://doi.org/10.2172/1830955

Younge, A.J. (2020). Towards Containerized HPC Applications at Exascale [Conference Presenation]. https://doi.org/10.2172/1823231

Bradley, A.M. (2020). High-order property-preserving semi-Lagrangian tracer transport and physics-dynamics-grid remap in EAMv2 [Presentation]. https://www.osti.gov/biblio/1821314

Knueven, B., Ostrowski, J., Watson, J., & Watson, J. (2020). On mixed-integer programming formulations for the unit commitment problem. INFORMS Journal on Computing, 32(4), pp. 857-876. https://doi.org/10.1287/ijoc.2019.0944

Ebeida, M. (2020). Spoke-LP: A parallel code for linear programming [Presentation]. https://www.osti.gov/biblio/1821845

Ciesko, J. (2020). Towards Generic Parallel Programming in Computer Science Education with Kokkos [Conference Poster]. https://www.osti.gov/biblio/1822112

Xiao, T.P., Bennett, C., Feinberg, B., Agarwal, S., Marinella, M., & Marinella, M. (2020). Analog architectures for neural network acceleration based on non-volatile memory. Applied Physics Reviews, 7(3). https://doi.org/10.1063/1.5143815

Kuberry, P., Trask, N.A., Koester, J.J., Bochev, P., & Bochev, P. (2020). Regression Based Approach for Robust Finite Element Analysis on Arbitrary Grids (REBAR) [Conference Poster]. https://www.osti.gov/biblio/1822641

Laforce, T., Jordan, S.H., Ebeida, M., McLendon, W., & McLendon, W. (2020). LANL/SANDIA/VOROCRUST EOFY 2020 meeting [Presentation]. https://www.osti.gov/biblio/1822301

Clark, S.M., Landahl, A.J., & Landahl, A.J. (2020). Quantum Scientific Computing Open User Testbed (QSCOUT) [Presentation]. https://www.osti.gov/biblio/1821847

Morrison, B. (2020). Transpiling Your Code in Other Languages to Run on QSCOUT [Presentation]. https://www.osti.gov/biblio/1822118

Seidl, D.T., Granzow, B.N., & Granzow, B.N. (2020). Elastoplastic Constitutive Model Calibration with Automatic Differentiation-based Sensitivities [Conference Presenation]. https://doi.org/10.2172/1830965

Frank, M.P. (2020). Fundamental Physics of Reversible Computing--An Introduction [Conference Poster]. https://www.osti.gov/biblio/1821576

Acer, S. (2020). Performance-Portable and Scalable Algorithms on Sparse/Dense Matrices and Graphs [Presentation]. https://www.osti.gov/biblio/1824731

Olivier, S.L. (2020). Evaluating the Efficiency of OpenMP Tasking for Unbalanced Computationon Diverse CPU Architectures [Conference Poster]. https://www.osti.gov/biblio/1822311

Katzenmeyer, A.M., Luk, T.S., Bussmann, E., Young, S.M., Anderson, E.M., Marshall, M., Ohlhausen, J.A., Kotula, P.G., Lu, P., de Campbell, A., Lu, T., Liu, P.Q., Ward, D.R., Misra, S., & Misra, S. (2020). Assessing atomically thin delta-doping of silicon using mid-infrared ellipsometry. Journal of Materials Research, 35(16), pp. 2098-2105. https://doi.org/10.1557/jmr.2020.155

Moon, G.E., Ellis, J.A., Sukumaran-Rajam, A., Parthasarathy, S., Sadayappan, P., & Sadayappan, P. (2020). ALO-NMF: Accelerated Locality-Optimized Non-negative Matrix Factorization [Conference Poster]. Proceedings of the ACM SIGKDD International Conference on Knowledge Discovery and Data Mining. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85090404850&origin=inward

Moon, G.E., Ellis, J.A., Sukumaran-Rajam, A., Parthasarathy, S., Sadayappan, P., & Sadayappan, P. (2020). ALO-NMF: Accelerated Locality-Optimized Non-negative Matrix Factorization [Conference Poster]. Proceedings of the ACM SIGKDD International Conference on Knowledge Discovery and Data Mining. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85090404850&origin=inward

Bachman, W.B., Wildey, T., Tranchida, J., Thompson, A.P., & Thompson, A.P. (2020). Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys. Journal of Chemical Physics, 153(7). https://doi.org/10.1063/5.0015672

Yamazaki, I., Rajamanickam, S., Ellingwood, N.D., & Ellingwood, N.D. (2020). Performance Portable Supernode-based Sparse Triangular Solver for Manycore Architectures [Conference Poster]. ACM International Conference Proceeding Series. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85090564383&origin=inward

Tranchida, J., Ivanov, A.V., Dagbartsson, D., Uzdin, V.M., Jonsson, H., & Jonsson, H. (2020). Efficient optimization method for finding minimum energy paths of magnetic transitions. Journal of Physics Condensed Matter, 32(34). https://doi.org/10.1088/1361-648x/ab8b9c

Plimpton, S.J., Perez, D., Voter, A.F., & Voter, A.F. (2020). Parallel algorithms for hyperdynamics and local hyperdynamics. Journal of Chemical Physics, 153(5). https://doi.org/10.1063/5.0014448

Cowen, B., Carpenter, J.H., & Carpenter, J.H. (2020). Improved reference system for the corrected rigid spheres equation of state model. Journal of Applied Physics, 128(5). https://doi.org/10.1063/5.0013080

Wilches-Bernal, F., Knueven, B., Staid, A., Watson, J., & Watson, J. (2020). Models and analysis of fuel switching generation impacts on power system resilience [Conference Poster]. IEEE Power and Energy Society General Meeting. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85099129864&origin=inward

Cardwell, S.G. (2020). Neuromorphic Computing: Towards Extremely Heterogeneous HPC [Conference Poster]. https://www.osti.gov/biblio/1813721

Freno, B.A., Carnes, B., Weirs, G., & Weirs, G. (2020). Code-verification techniques for hypersonic reacting flows in thermochemical nonequilibrium. Journal of Computational Physics, 425. https://doi.org/10.1016/j.jcp.2020.109752

Willenbring, J.M., O'Neal, J., & O'Neal, J. (2020). Git Workflows [Presentation]. https://www.osti.gov/biblio/1812463

Bachman, W.B., Wildey, T., Rodgers, T., & Rodgers, T. (2020). On supervised and unsupervised deep learning applications for materials informatics [Conference Poster]. https://www.osti.gov/biblio/1812467

Willenbring, J.M., Heroux, M.A., Bernholdt, D., & Bernholdt, D. (2020). Agile Methodologies Redux [Presentation]. https://www.osti.gov/biblio/1812449

Hanson, J.M., Bochev, P., Paskaleva, B.S., & Paskaleva, B.S. (2020). Learning Compact Physics-Aware Photocurrent Models Using Dynamic Mode Decomposition [Presentation]. https://doi.org/10.1002/sam.11485

Taylor, M.A. (2020). E3SM: Performance of spectral element dycore on Summit at scale [Conference Poster]. https://www.osti.gov/biblio/1813732

Aaziz, O., Cook, J., Vaughan, C.T., Jeffery, K., & Jeffery, K. (2020). Validating Communication Similarity between Proxy and Parent Applications through Network Performance Characterization [Presentation]. https://www.osti.gov/biblio/1812468

Roberds, N.A., Beckwith, K., Bettencourt, M.T., & Bettencourt, M.T. (2020). New inflow boundary conditions for relativistic and Newtonian fluids [Conference Poster]. https://www.osti.gov/biblio/1812450

Yamazaki, I., Rajamanickam, S., Ellingwood, N.D., & Ellingwood, N.D. (2020). Performance Portable Supernode-based Sparse Triangular Solver for Manycore Architecture [Conference Poster]. https://www.osti.gov/biblio/1814123

Olaya, P., Lofstead, G.F., Taufer, M., & Taufer, M. (2020). Containerized Environment for Reproducibility and Traceability of Scientific Workflows [Conference Poster]. https://www.osti.gov/biblio/1813928

Smith, J.D., Severa, W., Hill, A., Reeder, L., Parekh, O., Franke, B., Lehoucq, R.B., Aimone, J.B., & Aimone, J.B. (2020). Solving a steady-state pde using spiking networks and neuromorphic hardware [Conference Poster]. https://doi.org/10.1145/3407197.3407202

Gulian, M., Swiler, L.P., Frankel, A., Safta, C., Jakeman, J.D., & Jakeman, J.D. (2020). A Survey of Constrained Gaussian Process Regression: Approaches and Implementation Challenges [Conference Poster]. https://www.osti.gov/biblio/1814448

Aimone, J.B., Ho, Y., Parekh, O., Phillips, C.A., Pinar, A., Severa, W., Wang, Y., & Wang, Y. (2020). Brief Announcement: Provable neuromorphic advantages for computing constrained shortest paths [Conference Poster]. https://www.osti.gov/biblio/1814114

Trott, C.R. (2020). The Kokkos Lectures - Module 6: Fortran/Python interoperability MPI and PGAS [Presentation]. https://www.osti.gov/biblio/1818024

Phipps, E.T., Pawlowski, R., Trott, C.R., & Trott, C.R. (2020). Automatic Differentiation of C++ Codes on Emerging Manycore Architectures with Sacado [Conference Poster]. https://www.osti.gov/biblio/1812471

Frank, M.P., Brocato, R.W., Conte, T., Hsia, A., Jain, A., Missert, N., Shukla, K., Tierney, B.D., & Tierney, B.D. (2020). Exploring the Ultimate Limits of Adiabatic Circuits [Conference Poster]. https://www.osti.gov/biblio/1813925

Gao, X., Tracy, L.A., Anderson, E.M., de Campbell, A., Ivie, J.A., Lu, T., Mamaluy, D., Schmucker, S.W., Misra, S., & Misra, S. (2020). Modeling Assisted Room Temperature Operation of Atomic Precision Advanced Manufacturing Devices [Conference Poster]. https://doi.org/10.23919/SISPAD49475.2020.9241642

Bachman, W.B., Mitchell, J.A., Swiler, L.P., Wildey, T., & Wildey, T. (2020). An active learning high-throughput microstructure calibration framework for solving inverse structure–process problems in materials informatics. Acta Materialia, 194(C), pp. 80-92. https://doi.org/10.1016/j.actamat.2020.04.054

Mundt, M.R., Harvey, E.C., & Harvey, E.C. (2020). How Research Software Engineers Can Support Scientific Software [Conference Poster]. https://www.osti.gov/biblio/1814116

Cardwell, S.G., Aimone, J.B., & Aimone, J.B. (2020). Truly heterogeneous HPC: Co-design to achieve what science needs from HPC [Conference Poster]. https://www.osti.gov/biblio/1818046

Bangalore, P., Worley, A., Schafer, D., Grant, R., Skjellum, A., Ghafoor, G., & Ghafoor, G. (2020). A Portable Implementation of Partitioned Point-to-Point Communication Primitives [Conference Poster]. https://www.osti.gov/biblio/1814442

Gao, X., Huang, A., Trask, N.A., Reza, S., & Reza, S. (2020). Physics-Informed Graph Neural Network for Circuit Compact Model Development [Conference Poster]. https://www.osti.gov/biblio/1818021

Milewicz, R.M., Willenbring, J.M., Vigil, D., & Vigil, D. (2020). Research Develop Deploy: Building a Full Spectrum Software Engineering and Research Department [Conference Poster]. https://www.osti.gov/biblio/1814115

Trott, C.R. (2020). The Kokkos Lectures: Module 5 [Presentation]. https://www.osti.gov/biblio/1814410

Punla-Green, S.Z. (2020). Robust Bilevel Algorithms with Applications in Security [Presentation]. https://www.osti.gov/biblio/1814579

Marques, O.E., Milewicz, R.M., Raybourn, E.M., & Raybourn, E.M. (2020). Scientific Software Development with User Stories and Progress Tracking Cards [Conference Poster]. https://www.osti.gov/biblio/1818019

Olaya, P., Lofstead, G.F., Taufer, M., & Taufer, M. (2020). Containerized Environment for Reproducibility and Traceability of Scientific Workflows [Conference Poster]. https://www.osti.gov/biblio/1813929

Sirajuddin, D., Bettencourt, M.T., & Bettencourt, M.T. (2020). Powerflow modeling with EMPIRE [Conference Poster]. https://www.osti.gov/biblio/1812459

Shukla, K., Albert, V.V., Frank, M.P., Xu, J., & Xu, J. (2020). Fundamental Thermodynamic Limits of Classical Reversible Computing via GKSL Superoperators with Multiple Asymptotic States [Conference Poster]. https://www.osti.gov/biblio/1818029