Publications

Cusentino, M.A., Wood, M.A., & Thompson, A.P. (2021). Development of SNASP Machine Learned Interatomic Potentials for Materials in Extreme Environments [Conference Presentation]. 10.2172/1899237

Wang, F., & Rothganger, F. (2021). Introduction to Fugu and N2A, thoughts on lava integration [Conference Presentation]. 10.2172/1900326

Silling, S., Barr, C.M., Cooper, M., Lechman, J.B., & Bufford, D.C. (2021). Inelastic peridynamic model for molecular crystal particles. Computational Particle Mechanics, 8(5), pp. 1005-1017. 10.1007/s40571-021-00389-y

Rothganger, F. (2021). N2A: a language and software tool for large-scale modeling [Conference Poster]. 10.2172/1899507

Owen, J.H.G., Campbell, Q., Santini, R., Ivie, J.A., Baczewski, A.D., Schmucker, S.W., Bussmann, E., Misra, S., & Randall, J.N. (2021). Al-alkyls as acceptor dopant precursors for atomic-scale devices. Journal of Physics Condensed Matter, 33(46). 10.1088/1361-648x/ac1ddf

Parekh, O.D., Wang, Y., Ho, Y., Phillips, C.A., Pinar, A., Aimone, J.B., & Severa, W.M. (2021). Neuromorphic Graph Algorithms. 10.2172/1829422

Milewicz, R.M., & Mundt, M.R. (2021). Building Bridges: Establishing a Dialogue Between Software Engineering Research and Computational Science [Conference Paper]. https://www.osti.gov/biblio/1899252

Silling, S. (2021). Special journal issue on nonlocal codes [Conference Presentation]. 10.2172/1899695

Crozier, P., Adcock, C., Ananthan, S., Berger-Vergiat, L., Brazell, M., Brunhart-Lupo, N., Henry de Frahan, M.T., 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.A. (2021). Harnessing exascale for whole wind farm high-fidelity simulations to improve wind farm efficiency [Conference Presentation]. 10.2172/1897371

Nielsen, E., & Rudinger, K.M. (2021). PyGSTi: A toolkit for quantum characterization [Presentation]. https://www.osti.gov/biblio/1899678

Smith, J.D., & Galvan, E. (2021). CSRI Summer Proceedings 2021. 10.2172/1855061

Younge, A.J. (2021). Constructing Containers for Exascale Computing [Presentation]. https://www.osti.gov/biblio/1899250

Xiao, T.P., Feinberg, B., Rohan, J.N., Bennett, C., Agarwal, S., & Marinella, M. (2021). Analysis and mitigation of parasitic resistance effects for analog in-memory neural network acceleration. Semiconductor Science and Technology, 36(11). 10.1088/1361-6641/ac271a

Heroux, M.A. (2021). HPC Software Platform Trends:The Evolution of Trilinos from 2001 to 2026 [Presentation]. https://www.osti.gov/biblio/1900327

Chance, F.S. (2021). Lessons from dragonflies for neuromorphic computing [Presentation]. https://www.osti.gov/biblio/1898473

Milewicz, R.M., & Mundt, M.R. (2021). An Exploration of the Mentorship Needs of Research Software Engineers [Conference Presentation]. 10.2172/1899273

Kallaugher, J.M.G. (2021). A Quantum Advantage for a Natural Streaming Problem [Conference Proceeding]. 10.1109/FOCS52979.2021.00091

Plimpton, S.J. (2021). Thoughts on software for science [Presentation]. https://www.osti.gov/biblio/1900102

Hughes, C., Ashraf, R., Gioiosa, R., Phillips, C.A., Berry, J., Hart, W.E., Laird, C., & Rajamanickam, S. (2021). ARIAA Update -- SST [Presentation]. https://www.osti.gov/biblio/1897599

Devine, K. (2021). Trilinos Users Group Data Services Update [Presentation]. https://www.osti.gov/biblio/1900334

Mundt, M.R. (2021). RSE-HPC-2021 Panelist Introduction [Conference Presentation]. 10.2172/1896864

Reuter, B.W., Oliver, T., & Moser, R. (2021). Robust, segregated time integration for direct numerical simulation of low-Mach, variable-density flows [Conference Presentation]. 10.2172/1899509

Littlewood, D.J. (2021). An Introduction to the Peridigm Code [Conference Presentation]. 10.2172/1900111

Jalving, J.H., Eydenberg, M.S., Blakely, L., Kilwein, Z., Boukouvala, F., & Laird, C. (2021). Physics-Informed Machine Learning Surrogates with Optimization-Based Guarantees: Applications to AC Power Flow [Conference Presentation]. 10.2172/1897922

Willenbring, J.M. (2021). Trilinos Framework Product Overview and Update [Presentation]. https://www.osti.gov/biblio/1900330

Pawlowski, R. (2021). EMPIRE: A Performance Portable Plasma Simulation Code [Conference Presentation]. 10.2172/1900119

Young, K., Lobser, D., Magann, A.B., Blume-Kohout, R., Proctor, T.J., & Rudinger, K.M. (2021). Testbeds should enable development of new calibration routines [Conference Paper]. https://www.osti.gov/biblio/1899268

Smith, J.D., Aimone, J.B., Severa, W.M., & Lehoucq, R. (2021). Assessing a Neuromorphic Platform for use in Scientific Stochastic Sampling [Conference Presentation]. https://doi.org/10.2172/1899660

Krygier, M., Torczynski, J.R., & Gallis, M.A. (2021). Exploring near-continuum turbulent compressible flow in the Taylor-Green vortex [Conference Presentation]. 10.2172/1897023

Younge, A.J. (2021). CANOPIE-HPC Workshop Introduction - SC21 [Conference Presentation]. 10.2172/1897889

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.A., Seidl, D.T., Stephens, J.A., & Winokur, J.G. (2021). Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.15 User's Manual. 10.2172/1829573

Crockatt, M.M., Shadid, J.N., Pawlowski, R., Conde, S., Mabuza, S., & Bonilla, J. (2021). Fluid Plasma Model Development in Drekar [Conference Presentation]. 10.2172/1899280

Rajamanickam, S. (2021). Portability in Trilinos [Presentation]. https://www.osti.gov/biblio/1895552

Mundt, M.R., & Milewicz, R.M. (2021). Working in Harmony: Towards Integrating RSEs into Multi-Disciplinary CSE Teams [Conference Paper]. https://www.osti.gov/biblio/1899261

Fleming, E.S., Staid, A., Jackson, N.D., & Gunda, T. (2021). Critical Infrastructure Decision-Making under Long-Term Climate Hazard Uncertainty [Presentation]. https://www.osti.gov/biblio/1897700

Yale, C.G., Lobser, D., Landahl, A.J., & Clark, S.M. (2021). Low-level Access and Collaborations: Case Studies from the Quantum Scientific Computing Open User Testbed (QSCOUT) [Conference Paper]. https://www.osti.gov/biblio/1899246

Ciesko, J. (2021). Kokkos Remote Spaces ? Public Preview 3 [Presentation]. https://www.osti.gov/biblio/1897600

Foulk, J.W., Eldred, M., McCann, S., & Wang, Y. (2021). srMO-BO-3GP: A sequential regularized multi-objective Bayesian optimization for constrained design applications using an uncertain Pareto classifier. Journal of Mechanical Design, 144(3). 10.1115/1.4052445

Karamati, S., Young, J., Conte, T., Hemmert, K.S., Grant, R., Hughes, C., & Vuduc, R. (2021). Computational Offload with BlueField Smart NICs. 10.2172/1832297

Hill, A., & Vineyard, C.M. (2021). An introduction to neuromorphic computing and its potential impact for unattended ground sensors. 10.2172/1826263

Turner, E.M., Campbell, Q., Pizarro, J., Yang, H., Sapkota, K.R., Lu, P., Baczewski, A.D., Wang, G.T., & Jones, K.S. (2021). Controlled Formation of Stacked Si Quantum Dots in Vertical SiGe Nanowires. Nano Letters, 21(19), pp. 7905-7912. 10.1021/acs.nanolett.1c01670

D'Elia, M., Bochev, P.B., Perego, M., Trageser, J., & Littlewood, D.J. (2021). An optimization-based strategy for peridynamic-FEM coupling and for the prescription of nonlocal boundary conditions. 10.2172/1825041

Rodrigues, A., Hammond, S., Hemmert, K.S., Hughes, C., Kenny, J., & Voskuilen, G.R. (2021). A-SST Initial Specification. 10.2172/1854754

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

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

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

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

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

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

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