Publications

Trott, C.R. (2021). December 2021 ECP ST Project Review Kokkos [Presentation]. https://www.osti.gov/biblio/1902026

Loe, J.A. (2021). Mixed Precision Krlyov Slide for ECP Review [Presentation]. https://www.osti.gov/biblio/1900570

Nicholson, B.L., & Siirola, J.D. (2021). NMSBA Sustainable Engineering (Final Report). 10.2172/1834702

Sunseri, I., Hart, J.L., Alexanderian, A., & van Bloemen Waanders, B. (2021). Hyper-Differential Sensitivity Analysis of Inverse Problems Governed by PDEs [Conference Presentation]. 10.2172/1905697

Najm, H.N., Yang, Y., Zador, J., & Eldred, M. (2021). Surrogate models and physics constraints in atomistic modeling [Conference Presentation]. 10.2172/1903685

Bertagna, L., Perego, M., & Hoffman, M. (2021). Constraining subglacial hydrology with ice surface velocity observations by solving an inverse ice dynamics-subglacial hydrology problem [Conference Presentation]. 10.2172/1905434

Cyr, E.C., & Saavedra, G. (2021). Machine learning and spatial decomposition for large CT scans [Conference Presentation]. 10.2172/1903090

Bradley, A.M., Bosler, P.A., Guba, O., & Taylor, M.A. (2021). Interpolation Semi-Lagrangian Element-Based Transport (Islet) with p-refinement for extremely high-resolution tracer transport [Conference Presentation]. 10.2172/1902840

Swiler, L.P. (2021). Uncertainty Quantification (UQ) and Sensitivity Analysis (SA) in GDSA [Presentation]. https://www.osti.gov/biblio/1901835

Guo, Z., Song, J.K., Barbastathis, G., Vaughan, C.T., Larson, K., Alpert, B.K., Levine, Z.H., & Glinsky, M.E. (2021). Advantage of Machine Learning over Maximum Likelihood in Limited-Angle Low-Photon X-Ray Tomography [Conference Paper]. 10.2352/EI.2022.34.5.MLSI-202

Aksoy, D., McCarthy, M.J., Geiger, I., & Rupert, T. (2021). Local and Near-Boundary Environments in NbMoTaW Refractory Multi-Principal Element Alloy [Conference Presentation]. 10.2172/1905965

Dunlavy, D.M., & Chew, P.A. (2021). Document Retrieval and Ranking using Similarity Graph Mean Hitting Times. 10.2172/1835671

Carson, E., Gergelits, T., & Yamazaki, I. (2021). Mixed precision s–step Lanczos and conjugate gradient algorithms. Numerical Linear Algebra with Applications, 29(3). 10.1002/nla.2425

Rackers, J.A., Silva, R.R., Wang, Z., & Ponder, J.W. (2021). Polarizable Water Potential Derived from a Model Electron Density. Journal of Chemical Theory and Computation, 17(11), pp. 7056-7084. 10.1021/acs.jctc.1c00628

Swiler, L.P. (2021). Verification and Validation for Cyber Emulation [Conference Presentation]. 10.2172/1897016

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

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

Nichol, J. (2021). PhD Committee Meeting 1 [Presentation]. https://www.osti.gov/biblio/1897020

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

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

Harvey, E.C. (2021). A Common Tool for Building Trilinos: Introduction to GenConfig [Presentation]. https://www.osti.gov/biblio/1900099

Crossno, P.J. (2021). Visualizing Velocity Direction Using 3D Lookup Tables [Presentation]. https://www.osti.gov/biblio/1900109

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., Swiler, L.P., Foulk, J.W., & Winokur, J.G. (2021). Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis (V.6.16 User's Manual). 10.2172/1868142

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

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

Foulk, J.W., Schleife, A., Baczewski, A.D., Hansen, S.B., & Kononov, A. (2021). Optical Properties of Be at High Temperatures from First Principles [Conference Presentation]. 10.2172/1897695

Steiner, A.M., Siefert, C., Shipley, G.A., Redline, E., Dickens, S.M., Jaramillo, R.K., Chavez, T.P., Hutsel, B.T., Foulk, J.W., Peterson, K.J., Bell, K., Balogun, S., Losego, M., Sammeth, T., Kern, I., Harjes, C., Gilmore, M., & Lehr, J. (2021). Investigating Volumetric Inclusions of Semiconductor Materials to Improve Flashover Resistance in Dielectrics [Conference Poster]. 10.2172/1899533

Leger, M.A., Darling, M.C., Jones, S.T., Matzen, L.E., Stracuzzi, D.J., Wilson, A.T., Bueno, D., Christentsen, M., Ginaldi, M., Foulk, J.W., Heidbrink, S., Howell, B.C., Leger, C., Reedy, G., Rogers, A., & Williams, J. (2021). Exploring Explicit Uncertainty for Binary Analysis (EUBA). 10.2172/1832314

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

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

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

Willenbring, J.M. (2021). A Testing Strategy that Supports Scientific Software Sustainability [Conference Paper]. https://www.osti.gov/biblio/1899242

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

Foulk, J.W., & Tranchida, J. (2021). Multi-fidelity Gaussian process and Bayesian optimization for materials design: Application to ternary random alloys [Conference Presentation]. 10.2172/1898471

Rawlings, E., Susarla, N., Ghouse, J., Laird, C., Zamarripa, M., Bynum, M.L., Siirola, J.D., & Miller, D. (2021). Conceptual Design Via Superstructure Optimization in Advanced Energy Systems Using IDAES [Conference Presentation]. 10.2172/1899680

Hentschel, T.W., Kononov, A., Baczewski, A.D., Cangi, A., & Hansen, S.B. (2021). Effects of electron-ion collisions on stopping powers in warm dense matter [Conference Poster]. 10.2172/1897018

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

Roberts, S.A., Donohoe, B.D., Martinez, C., Krygier, M., Hernandez-Sanchez, B.A., Foster, C.W., Collins, L.N., Greene, B., Noble, D.R., Norris, C., Potter, K.M., Roberts, C., Neal, K.D., Bernard, S.R., Schroeder, B.B., Trembacki, B., Labonte, T., Sharma, K., Ganter, T., … Smith, M.D. (2021). Credible, Automated Meshing of Images (CAMI) [Presentation]. https://www.osti.gov/biblio/1900115

Safta, C., Najm, H.N., Diaz-Ibarra, O.H., & Kim, K. (2021). TChem v3.0: A Software Toolkit for the Analysis of Complex Kinetic Models. 10.2172/1829197

Laird, C., Jalving, J.H., Blakely, L., Eydenberg, M.S., Boukouvala, F., & Kilwein, Z. (2021). Integration of Optimization and Machine Learning for Improving Electrical Grid Operation [Conference Presentation]. 10.2172/1896366

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

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

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

Rajamanickam, S. (2021). Can Scientific Software Development Use the Outsourcing Model Successfully [Conference Paper]. https://www.osti.gov/biblio/1899526

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

Pawlowski, R. (2021). Trilinos Nonlinear Analysis Product Area Update [Conference Presentation]. 10.2172/1900095

Diaz-Ibarra, O.H., Kim, K., Safta, C., & Najm, H.N. (2021). CSPlib - A Toolkit for the Analysis of ODE/DAE Dynamical Systems and Chemical Kinetic Models. 10.2172/1855067

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

Smith, J.D., & Galvan, E. (2021). CSRI Summer Proceedings 2021. https://doi.org/10.2172/1836402

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