Publications

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