Publications

Magann, A.B. (2021). Designing quantum controls efficiently [Presentation]. https://www.osti.gov/biblio/1890882

di Matteo, O., Gamble, J., Granade, C., Rudinger, K.M., & Wiebe, N. (2021). Operational Quantum Tomography [Conference Presentation]. 10.2172/1882132

Nichol, J. (2021). Causal Inference and Causal Discovery [Presentation]. https://www.osti.gov/biblio/1882126

Ibanez-Granados, D.A. (2021). Better Package Management [Presentation]. https://www.osti.gov/biblio/1883461

Laros, J.H., Hammond, S., & Foulk, J.W. (2021). Vanguard-II Application Evaluation Thrust [Presentation]. https://www.osti.gov/biblio/1884443

Moore, S.G. (2021). Overview of Molecular Dynamics [Conference Presentation]. 10.2172/1882348

Loe, J.A. (2021). An Introduction to Trilinos [Presentation]. https://www.osti.gov/biblio/1884905

Moore, S.G. (2021). The State of the LAMMPS KOKKOS Package [Conference Presentation]. 10.2172/1888676

Smith, C., Albash, T., Campbell, Q., & Baczewski, A.D. (2021). Neural Network Quantum Simulation [Conference Presentation]. 10.2172/1889560

Plimpton, S.J. (2021). How to modify LAMMPS [Conference Presentation]. 10.2172/1888427

Leonard, F., Backer, A.S., Fuller, E.J., Teeter, C.M., & Vineyard, C.M. (2021). Co-Design of Free-Space Metasurface Optical Neuromorphic Classifiers for High Performance. ACS Photonics, 8(7), pp. 2103-2111. 10.1021/acsphotonics.1c00526

Moon, G.E., Kwon, H., Jeong, G., Chatarasi, P., Rajamanickam, S., & Krishna, T. (2021). Evaluating Spatial Accelerator Architectures with Tiled Matrix-Matrix Multiplication. 10.2172/1808019

Trott, C.R., Lebrun-Grandie, D., Arndt, D., Ciesko, J., Dang, V.Q., Ellingwood, N.D., Gayatri, R., Harvey, E.C., Hollman, D.S., Ibanez-Granados, D.A., Liber, N., Madsen, J., Miles, J.S., Poliakoff, D., Powell, A.J., Rajamanickam, S., Simberg, M., Sunderland, D., Turcksin, B., & Wilke, J. (2021). Kokkos 3: Programming Model Extensions for the Exascale Era. IEEE Transactions on Parallel and Distributed Systems, 33(4), pp. 805-817. https://doi.org/10.1109/TPDS.2021.3097283

Friedman, S., Jakeman, J.D., Eldred, M., Tamellini, L., Gorodestky, A.A., & Allaire, D. (2021). Adaptive resource allocation for surrogate modeling of systems comprised of multiple disciplines with varying fidelity. 10.2172/1807453

Jakeman, J.D., Kouri, D.P., & Huerta, J.G. (2021). Surrogate Modeling For Efficiently Accurately and Conservatively Estimating Measures of Risk. 10.2172/1807455

Rempe, S., Jing, Z., Rackers, J.A., Pratt, L.R., Liu, C., & Ren, P. (2021). Thermodynamics of ion binding and occupancy in potassium channels. Chemical Science, 12(25), pp. 8920-8930. https://doi.org/10.1039/d1sc01887f

Aimone, J.B., Ho, Y., Parekh, O.D., Phillips, C.A., Pinar, A., Severa, W.M., & Wang, Y. (2021). Provable advantages for graph algorithms in spiking neural networks [Conference Paper]. Annual ACM Symposium on Parallelism in Algorithms and Architectures. 10.1145/3409964.3461813

dos Santos, G., Meyer, R., Aparicio, R., Tranchida, J., Bringa, E.M., & Urbassek, H.M. (2021). Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles. Applied Physics Letters, 119(1). 10.1063/5.0055606

Laird, C., Watson, J., Hart, W.E., Siirola, J.D., & Nicholson, B.L. (2021). Pyomo Tutorial [Presentation]. https://www.osti.gov/biblio/1882354

Hart, W.E., Laird, C., Rodriguez, J.S., Siirola, J.D., & Nicholson, B.L. (2021). Rethinking the C++ / Python Boundary in Modeling and Optimization Tools [Presentation]. https://www.osti.gov/biblio/1882366

Cyr, E.C. (2021). Perfection is the Enemy of Fast: The Case for Mathematically Induced Parallelism [Presentation]. https://www.osti.gov/biblio/1883495

McQuarrie, S.A., & van Bloemen Waanders, B. (2021). Goal-oriented data-driven reduced-order modeling guided by hyper-differential sensitivity analysis [Presentation]. https://www.osti.gov/biblio/1884436

Portone, T., Foulk, J.W., Dandekar, R., & Rackauckas, C. (2021). Learning Missing Mechanisms in a Dynamical System from a Subset of State Variable Observations [Conference Presentation]. 10.2172/1889367

Hu, J.J., & Glusa, C. (2021). Recent Advances in Maxwell Solvers for PIC Simulations Across Architectures [Conference Presentation]. 10.2172/1888437

Laird, C., Nicholson, B.L., & Rodriguez, J.S. (2021). Parallel strategies for DAE optimization with direct Schur-complement decomposition [Conference Poster]. https://www.osti.gov/biblio/1883541