Publications

McCrary, T.M., Devine, K., & Younge, A.J. (2021). Integrating PGAS and MPI-based Graph Analysis. 10.2172/1832085

Niederhaus, J.H.J. (2021). Verification and validation for computational electromagnetics in the ALEGRA code [Presentation]. https://www.osti.gov/biblio/1894431

Goldberg, N.N., Demsky, S., Youssef, A.A., Carter, S.P., Fowler, D.M., Jackson, N., Kuether, R.J., & Steyer, A.J. (2021). Experimental and Computational Investigation of Nonlinear Dynamics of a Simplified Bearing-and-Shaft Assembly [Conference Paper]. https://www.osti.gov/biblio/1892458

Kelley, B.M., & Rajamanickam, S. (2021). Parallel, Portable Algorithms for Distance-2 Maximal Independent Set and Graph Coarsening [Conference Paper]. 10.1109/IPDPS53621.2022.00035

Milewicz, R.M., & Mundt, M.R. (2021). An Exploration of the Mentorship Needs of Research Software Engineers [Conference Paper]. https://www.osti.gov/biblio/1890898

Thompson, A.P. (2021). FusMatML End-of-Year Review Summary [Presentation]. https://www.osti.gov/biblio/1897015

Alberdi, R., Robbins, J., Walsh, T., & Dingreville, R. (2021). Exploring wave propagation in heterogeneous metastructures using the relaxed micromorphic model. Journal of the Mechanics and Physics of Solids, 155. 10.1016/j.jmps.2021.104540

Milewicz, R.M. (2021). Building and Sustaining an RSE Department at Sandia National Laboratories [Conference Presentation]. 10.2172/1891965

Siefert, C., Smith, T.A., & Ridgway, E.M. (2021). Evaluation of Programming Language-Aware Diffs for Improving Developer Productivity. 10.2172/1832300

Robbins, J., & Valentin, M.A. (2021). Algorithms Developed and Implemented in the Plato Software for Optimization-based Design for Manufacturing. 10.2172/1854747

Eldred, M., Geraci, G., Gorodetsky, A.A., Jakeman, J.D., Portone, T., Wildey, T., Rushdi, A., & Seidl, D.T. (2021). The Dakota Project: Connecting the Pipeline from Uncertainty Quantification R&D to Mission Impact [Presentation]. https://www.osti.gov/biblio/1891078

Nicholson, B.L., Parker, R., & Biegler, L. (2021). Dynamic Modeling and Optimization [Presentation]. https://www.osti.gov/biblio/1894995

Oldfield, R., Kramer, S.L.B., Rushdi, A., Foulk, J.W., Emery, J.M., Kuberry, P., Ray, J., Ackerman, S., Cyr, E.C., Saavedra, G., Hughes, C., Cardwell, S.G., & Smith, J.D. (2021). The ASC Advanced Machine Learning Initiative at Sandia National Laboratories: FY21 Accomplishments and FY22 Plans [Presentation]. https://www.osti.gov/biblio/1895016

Blume-Kohout, R. (2021). Gate set tomography in practice and principle [Presentation]. https://www.osti.gov/biblio/1895015

Frank, M.P. (2021). Reversible Computing -- The Long-Term Future of General Digital Computing [Conference Presentation]. 10.2172/1895005

Xiao, T.P., Bennett, C., Feinberg, B., Marinella, M., & Agarwal, S. (2021). CrossSim: GPU-Accelerated Simulation of Analog Neural Networks [Conference Presentation]. 10.2172/1890592

Ruzic, B.P., Young, K., & Metodi, T.S. (2021). Characterization and Optimization of Building Blocks for Specialized Computing Platforms. 10.2172/1828281

Geraci, G., & Olson, A. (2021). Impact of Sampling Strategies in the Polynomial Chaos Surrogate Construction for Monte Carlo Transport Applications [Conference Presentation]. 10.2172/1890607

Ulmer, C., Curry, M.L., Maltzahn, C., & Liu, J. (2021). Leveraging SmartNICs in Data Management Tasks for High-Performance Computing [Presentation]. https://www.osti.gov/biblio/1891237

Sockwell, K.C., Kuberry, P., Tucker, J.D., & Bochev, P.B. (2021). Automated Discovery of DOminaNt physics Informed Surrogates (ADDONIS) Framework [Presentation]. https://www.osti.gov/biblio/1894021

Anderson, E.M., Campbell, D.M., Ivie, J.A., Schmucker, S.W., Lu, P., Gao, X., Tracy, L.A., Arghavani, R., Bussmann, E., Baczewski, A.D., Lu, T.M., Katzenmeyer, A.M., Scrymgeour, D., & Misra, S. (2021). Development of low thermal budget Si epitaxy and high-k/ metal gate stack for atomically precise electronic devices [Conference Presentation]. 10.2172/1894018

Haskins, K., Bridges, P., Ferreira, K., & Levy, S.L.N. (2021). A Benchmark to Understand Communication Performance in Hybrid MPI and GPU Applications [Conference Paper]. https://www.osti.gov/biblio/1899493

Chance, F.S., Little, C.Q., McKenzie, M., Dellana, R., Small, D., Gayle, T., & Novick, D. (2021). Biologically Inspired Interception on an Unmanned System. 10.2172/1827493

Campbell, Q., Baczewski, A.D., Butera, R., & Misra, S. (2021). Hole in one: Pathways for deterministic incorporation of a single acceptor in silicon [Conference Presentation]. 10.2172/1893605

Bolintineanu, D.S., Lechman, J.B., Bufford, D.C., Clemmer, J.T., Cooper, M., Erikson, W.W., Silling, S., Oliver, M.S., Chavez, A.A., Schmalbach, K., & Mara, N.A. (2021). Enabling Particulate Materials Processing Science for High-Consequence, Small-Lot Precision Manufacturing. 10.2172/1832288

Ibanez-Granados, D.A. (2021). Lessons Learned in Performance and Portability [Presentation]. https://www.osti.gov/biblio/1890610

Voskuilen, G.R., Rodrigues, A., Hughes, C., Hemmert, K.S., & Hammond, S. (2021). Towards an Extensible Framework for Accelerated System Simulation [Conference Poster]. 10.2172/1890392

Frank, M.P. (2021). The Reversible Computing Future [Presentation]. https://www.osti.gov/biblio/1897014

Najm, H.N., Sargsyan, K., Kim, K., Goldsmith, C.F., West, R.H., Bylaska, E.J., Bross, D.H., Ruscic, B., Safta, C., Zador, J., Blais, C., Blondal, K., Diaz-Ibarra, O.H., Hermes, E., & Mazeau, E. (2021). Exascale Catalytic Chemistry (ECC) [Conference Poster]. 10.2172/1890393

Kallaugher, J.M.G., Kapralov, M., & Price, E. (2021). Simulating Random Walks in Random Streams [Conference Proceeding]. 10.1137/1.9781611977073.120

Rajamanickam, S. (2021). Enabling Science Simulations with Scalable Computational Frameworks for Scientific Computing [Presentation]. https://www.osti.gov/biblio/1894020

Trask, N.A. (2021). Structure preserving machine learning for data-driven multiscale/multiphysics modeling [Presentation]. https://www.osti.gov/biblio/1891077

Severa, W.M. (2021). AI Ecosystem for the Edge [Conference Presentation]. 10.2172/1892144

Robbins, J., Valentin, M.A., Alberdi, R., Clark, B.W., Jared, B.H., Jensen, S.C., Johnson, K.L., & Viertel, R. (2021). Optimization-based Design for Manufacturing. 10.2172/1828110

Robbins, J. (2021). Topology Optimization with a Manufacturability Objective. 10.2172/1825357

Plimpton, S.J. (2021). Input scripts and styles [Conference Presentation]. 10.2172/1890907

Plimpton, S.J. (2021). Additional features and more info [Conference Presentation]. 10.2172/1890892

Haskins, K., Bridges, ., Ferreira, K., & Levy, S.L.N. (2021). A Benchmark to Understand Communication Performance in Hybrid MPI and GPU Applications [Conference Paper]. https://www.osti.gov/biblio/1899492

Phipps, E.T., Johnson, N., & Kolda, T.G. (2021). Streaming Generalized Canonical Polyadic Tensor Decompositions. 10.2172/1832304

Younge, A.J. (2021). Portability and Reproducibility Considerations with Containers [Conference Presentation]. 10.2172/1892149

Berry, J., Ganti, A., Goss, K., Mayer, C.D., Onunkwo, U., Phillips, C.A., Saia, J., & Shead, T.M. (2021). Adapting Secure MultiParty Computation to Support Machine Learning in Radio Frequency Sensor Networks. 10.2172/1842271

Adcock, C., Ananthan, S., Berger-Vergiat, L., Brazell, M., Brunhart-Lupo, N., Hu, J.J., Knaus, R.C., Melvin, J., Moser, B., Mullowney, P., Rood, J., Sharma, A., Thomas, S., Vijayakumar, G., Williams, A.B., Wilson, R., Yamazaki, I., & Sprague, M. (2021). FY2021 Q4: Demonstrate moving-grid multi-turbine simulations primarily run on GPUs and propose improvements for successful KPP-2 [Slides]. 10.2172/1855023

Adcock, C., Ananthan, S., Berget-Vergiat, L., Brazell, M., Brunhart-Lupo, N., Hu, J.J., Knaus, R.C., Melvin, J., Moser, B., Mullowney, P., Rood, J., Sharma, A., Thomas, S., Vijayakumar, G., Williams, A.B., Wilson, R., Yamazaki, I., & Sprague, M. (2021). Demonstrate moving-grid multi-turbine simulations primarily run on GPUs and propose improvements for successful KPP-2. 10.2172/1855025

Littlewood, D.J., Wood, M.A., de Zapiain, D.M., Rajamanickam, S., & Trask, N.A. (2021). Sandia / IBM Discussion on Machine Learning for Materials Applications [Slides]. 10.2172/1828106

Mendez Granado, J.P., Gao, X., Mamaluy, D., & Misra, S. (2021). Quantum Transport Simulations for Si:P δ-layer Tunnel Junctions [Conference Presentation]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. 10.1109/sispad54002.2021.9592565

Mendez Granado, J.P., Mamaluy, D., Gao, X., & Misra, S. (2021). Quantum Transport Simulations for Si:P δ-layer Tunnel Junctions [Conference Paper]. 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD). https://doi.org/10.1109/sispad54002.2021.9592565

Gao, X., Mendez Granado, J.P., Lu, T.M., Anderson, E.M., Campbell, D.M., Ivie, J.A., Schmucker, S.W., Grine, A., Lu, P., Tracy, L.A., Arghavani, R., & Misra, S. (2021). Modeling and Assessment of Atomic Precision Advanced Manufacturing (APAM) Enabled Vertical Tunneling Field Effect Transistor [Conference Presentation]. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. 10.2172/1867273

Thompson, A.P., Aktulga, H.M., Berger, R., Bolintineanu, D.S., Brown, W.M., Crozier, P., In 'T Veld, P.J., Kohlmeyer, A., Moore, S.G., Nguyen, T.D., Shan, R., Stevens, M.J., Tranchida, J., Trott, C.R., & Plimpton, S.J. (2021). $\mathrm{LAMMPS}$ - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Computer Physics Communications, 271. https://doi.org/10.1016/j.cpc.2021.108171

Frederick, E., Campbell, Q., Kolesnichenko, I.V., Pena, L.F., Benavidez, A., Anderson, E.M., Wheeler, D.R., & Misra, S. (2021). Ultradoping Boron on Si(100) via Solvothermal Chemistry**. Chemistry - A European Journal, 27(53), pp. 13337-13341. 10.1002/chem.202102200

Moore, S.G., & Thompson, A.P. (2021). Large-Scale Atomistic Simulations [Slides]. 10.2172/1820306