Publications

Gross, B.J., Kuberry, P., & Atzberger, P.J. (2022). First-passage time statistics on surfaces of general shape: Surface PDE solvers using Generalized Moving Least Squares (GMLS). Journal of Computational Physics, 453. 10.1016/j.jcp.2021.110932

Hogle, C.W., Ivory, M.K., Lobser, D., Ruzic, B.P., & Derose, C. (2022). Three-Photon Optical Pumping for Trapped Ion Quantum Computing. 10.2172/1854752

Lutz, J.J., Byrd, J.N., Lotrich, V.F., Jensen, D.S., Zador, J., & Hubbard, J.A. (2022). A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy. Physical Chemistry Chemical Physics, 24(16), pp. 9634-9647. 10.1039/d1cp05268c

Shojaei, A., Hermann, A., Cyron, C.J., Seleson, P., & Silling, S. (2022). A hybrid meshfree discretization to improve the numerical performance of peridynamic models. Computer Methods in Applied Mechanics and Engineering, 391(N/A). https://doi.org/10.1016/j.cma.2021.114544

Chen, Q., Johnson, E.S., Bernal, D.E., Valentin, R., Kale, S., Bates, J., Siirola, J.D., & Grossmann, I.E. (2022). Pyomo.GDP: an ecosystem for logic based modeling and optimization development. Optimization and Engineering, 23(1), pp. 607-642. 10.1007/s11081-021-09601-7

Bussmann, E., Smith, S.W., Scrymgeour, D., Brumbach, M.T., Lu, P., Dickens, S.M., Michael, J.R., Ohta, T., Hjalmarson, H.P., Schultz, P.A., Clem, P., Hopkins, M.M., & Moore, C. (2022). Atomic step disorder on polycrystalline surfaces leads to spatially inhomogeneous work functions. Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, 40(2). https://doi.org/10.1116/6.0001729

Campbell, Q., Baczewski, A.D., Butera, R.E., & Misra, S. (2022). Hole in one: Pathways to deterministic single-acceptor incorporation in Si(100)-2 × 1. AVS Quantum Science, 4(1). 10.1116/5.0075467

Fiedler, L., Hoffmann, N., Mohammed, P., Popoola, G.A., Yovell, T., Oles, V., Ellis, J.A., Rajamanickam, S., & Cangi, A. (2022). Finding Electronic Structure Machine Learning Surrogates without Training. 10.2172/1891948

Liu, Y., Rogers, T., & Hughes, C. (2022). Unified Memory: GPGPU-Sim/UVM Smart Integration. 10.2172/1844477

Espinoza, H.J.D., Loe, J.A., & Boman, E.G. (2022). Randomized Cholesky Preconditioning for Graph Partitioning Applications. 10.2172/1843910

D'Elia, M., & Glusa, C. (2022). A fractional model for anomalous diffusion with increased variability: Analysis, algorithms and applications to interface problems. Numerical Methods for Partial Differential Equations, 38(6). 10.1002/num.22865

Smith, J.D., Hill, A., Reeder, L.E., Franke, B.C., Lehoucq, R., Parekh, O.D., Severa, W.M., & Aimone, J.B. (2022). Neuromorphic scaling advantages for energy-efficient random walk computations. Nature Electronics, 5(2), pp. 102-112. 10.1038/s41928-021-00705-7

Yasar, A., Rajamanickam, S., Berry, J., & Catalyurek, U.V. (2022). A Block-Based Triangle Counting Algorithm on Heterogeneous Environments. IEEE Transactions on Parallel and Distributed Systems, 33(2), pp. 444-458. 10.1109/tpds.2021.3093240

Espinoza, H.J.D., Loe, J.A., & Boman, E.G. (2022). Randomized Cholesky Preconditioning for Graph Partitioning Applications. 10.2172/1840649

Lopez, O.F., Lehoucq, R., & Dunlavy, D.M. (2022). Zero-Truncated Poisson Tensor Decomposition for Sparse Count Data. 10.2172/1841834

D'Elia, M., Glusa, C., Xu, X., & Foster, J.E. (2022). Machine-Learning of Nonlocal Kernels for Anomalous Subsurface Transport from Breakthrough Curves. 10.2172/1842267

Author, N., Madzik, M.T., Asaad, S., Youssry, A., Joecker, B., Rudinger, K.M., Nielsen, E., Young, K., Proctor, T.J., Baczewski, A.D., Laucht, A., Schmitt, V., Hudson, F.E., Itoh, K.M., Jakob, A.M., Johnson, B.C., Jamieson, D.N., Dzurak, A.S., Ferrie, C., … Morello, A. (2022). Precision tomography of a three-qubit donor quantum processor in silicon. Nature, 601(7893), pp. 348-353. 10.1038/s41586-021-04292-7

Seidl, D.T., & Granzow, B.N. (2022). Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities. International Journal for Numerical Methods in Engineering, 123(1), pp. 69-100. 10.1002/nme.6843

Bolten, M., de Sturler, E., Hahn, C., & Parks, M.L. (2022). Krylov subspace recycling for evolving structures. Computer Methods in Applied Mechanics and Engineering, 391. 10.1016/j.cma.2021.114222

Diaz-Ibarra, O.H., Kim, K., Safta, C., Zador, J., & Najm, H.N. (2022). Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis. Combustion Theory and Modelling, 26(2), pp. 201-227. 10.1080/13647830.2021.2002417

Hu, X., Walker, B.W., Garcia-Sanchez, F., Edwards, A.J., Zhou, P., Incorvia, J.A.C., Paler, A., Frank, M.P., & Friedman, J.S. (2022). Logical and Physical Reversibility of Conservative Skyrmion Logic. IEEE Magnetics Letters, 13. 10.1109/lmag.2022.3174514

Proctor, T.J., Rudinger, K.M., Young, K., Nielsen, E., & Blume-Kohout, R. (2022). Measuring the capabilities of quantum computers. Nature Physics, 18(1), pp. 75-79. 10.1038/s41567-021-01409-7

Magann, A.B., McCaul, G., Rabitz, H.A., & Bondar, D.I. (2022). Sequential optical response suppression for chemical mixture characterization. Quantum, 6. https://doi.org/10.22331/q-2022-01-20-626

Rudinger, K.M., Ribeill, G.J., Govia, L.C.G., Ware, M., Nielsen, E., Young, K., Ohki, T.A., Blume-Kohout, R., & Proctor, T.J. (2022). Characterizing Midcircuit Measurements on a Superconducting Qubit Using Gate Set Tomography. Physical Review Applied, 17(1). 10.1103/physrevapplied.17.014014

Ferreira, K., & Levy, S.L.N. (2022). Characterizing Memory Failures Using Benford’s Law [Conference Paper]. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85133026898&origin=inward

Cooper, M., Clemmer, J.T., Silling, S., Bufford, D.C., & Bolintineanu, D.S. (2022). Mesostructure Evolution During Powder Compression: Micro-CT Experiments and Particle-Based Simulations [Conference Presentation]. Conference Proceedings of the Society for Experimental Mechanics Series. 10.2172/1865256

Mundt, M.R., Milewicz, R.M., & Raybourn, E.M. (2022). In Their Shoes: Persona-Based Approaches to Software Quality Practice Incentivization. Computing in Science and Engineering, 24(3), pp. 42-50. 10.1109/mcse.2022.3170027

Liu, J., Maltzahn, C., Curry, M.L., & Ulmer, C. (2022). Processing Particle Data Flows with SmartNICs. 2022 IEEE High Performance Extreme Computing Conference, HPEC 2022. 10.2172/1892372

Heinlein, A., Perego, M., & Rajamanickam, S. (2022). FROSch PRECONDITIONERS FOR LAND ICE SIMULATIONS OF GREENLAND AND ANTARCTICA. SIAM Journal on Scientific Computing, 44(2), pp. B339-B367. 10.1137/21m1395260

Safta, C., Jakeman, J.D., & Gorodetsky, A.A. (2022). Reverse-mode differentiation in arbitrary tensor network format: with application to supervised learning. Journal of Machine Learning Research, 23(143). https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85131439706&origin=inward

Hemmert, K.S., & Kenny, J. (2021). HIHE01-36: Evaluate how various topologies perform in the context of link failures [Slides]. 10.2172/1842916

Magann, A.B., Grace, M.D., Rabitz, H., & Sarovar, M. (2021). Digital quantum simulation of molecular dynamics and control [Conference Poster]. 10.2172/1908755

Okada, Y., Goff, J.M., Keilbart, N., dos Santos Vieira, F., & Dabo, I. (2021). Atomic Scale Simulations for Pseudocapacitive MXene Electrode [Conference Presentation]. 10.2172/1908761

Preece, D.E., Silling, S., Bhuiyan, A.E., Lownds, C.M.E., & Bowden, P.R.E. (2021). Application of GEM (Geologic Element Motion) to Heave Modeling of Cast Blasting, Mineral and Iron Ore Blasting [Conference Paper]. https://www.osti.gov/biblio/1908751

Armstrong, E., Hansen, M.A., Knaus, R.C., Trask, N.A., Hewson, J.C., & Sutherland, J. (2021). Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks [Conference Paper]. 10.1080/00102202.2022.2102908

Eisenhauer, G., Logan, J., Ulmer, C., Widener, P., & Wolf, M. (2021). Surfacing and Exploiting Metadata Relationships for Scalable Scientific Data Environments [Presentation]. https://www.osti.gov/biblio/1908753

D'Elia, M., Silling, S., Yu, Y., You, H., & Gao, T. (2021). Nonlocal Kernel Network (NKN): a Stable and Resolution-Independent Deep Neural Network. 10.2172/1855045

Wang, Q., Guillaume, J., Jakeman, J.D., Yang, T., Iwanaga, T., Croke, B., & Jakeman, T. (2021). Assessing the predictive impact of factor fixing with an adaptive uncertainty-based approach. Environmental Modelling and Software, 148. 10.1016/j.envsoft.2021.105290

Lysogorskiy, Y., van der Oord, V., Bochkarev, A., Menon, S., Rinaldi, M., Hammerschmidt, T., Mrovec, M., Thompson, A.P., Csanyi, G., Ortner, C., & Drautz, R. (2021). Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon. npj Computational Materials, 7(1). 10.1038/s41524-021-00559-9

Krygier, M., Labonte, T., Martinez, C., Norris, C., Sharma, K., Collins, L.N., Mukherjee, P.P., & Foulk, J.W. (2021). Quantifying the unknown impact of segmentation uncertainty on image-based simulations [Conference Presentation]. Nature Communications. 10.2172/1884065

Campione, S., Stephens, J.A., Martin, N., Eckert, A., Warne, L.K., Huerta, J.G., Pfeiffer, R.A., & Jones, A. (2021). Developing Uncertainty Quantification Strategies in Electromagnetic Problems Involving Highly Resonant Cavities. Journal of Verification, Validation and Uncertainty Quantification, 6(4). 10.1115/1.4051906

Ferreira, K., & Levy, S.L.N. (2021). Evaluating MPI resource usage summary statistics. Parallel Computing, 108. 10.1016/j.parco.2021.102825

Krygier, M., Labonte, T., Martinez, C., Norris, C., Sharma, K., Collins, L.N., Mukherjee, P.P., & Roberts, S.A. (2021). Quantifying the unknown impact of segmentation uncertainty on image-based simulations. Nature Communications, 12(1). https://doi.org/10.1038/s41467-021-25493-8

Singh, S., Pandey, P., Bender, M.A., Berry, J., Farach-Colton, M., Johnson, R., Kroeger, T., & Phillips, C.A. (2021). Timely Reporting of Heavy Hitters Using External Memory. ACM Transactions on Database Systems, 46(4). 10.1145/3472392

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

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

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

Rodriguez, A.E., Niederhaus, J.H.J., Greenwood, W.J., & Clutz, C.C. (2021). Discrete modeling of a transformer with ALEGRA. 10.2172/1855070

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

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