Publications

Moxley, J. (2021). Encouraging Pride in the Tools We Use [Conference Paper]. https://www.osti.gov/biblio/1875242

Cyr, E.C., Gulian, M., Lee, K., Patel, R., Perego, M., & Trask, N.A. (2021). An Adaptive Basis Perspective to Improve Initialization and Accelerate Training of DNNs [Presentation]. https://www.osti.gov/biblio/1872708

Foulk, J.W. (2021). Scalable3-BO: Big Data meets HPC - A scalable parallel high-dimensional Bayesian optimization framework on supercomputers [Conference Presentation]. 10.2172/1875390

Grant, R. (2021). MPI Partitioned Communication MPI BoF ISC 2021 [Presentation]. https://www.osti.gov/biblio/1875032

Tranchida, J. (2021). LAMMPS, a brief overview and examples of modifications [Presentation]. https://www.osti.gov/biblio/1884410

Willenbring, J.M., & Singh Walia, G. (2021). Evaluating the Sustainability of Computational Science and Engineering Software: Empirical Observations [Conference Paper]. https://www.osti.gov/biblio/1882362

Ciesko, J. (2021). Comms - Summit Series-VIII [Conference Presentation]. 10.2172/1871934

Jackson, N.D., Gilletly, S.D., & Staid, A. (2021). Quantifying Wildfire-Induced Impacts to Photovoltaic Energy Production in the western United States [Conference Presentation]. https://doi.org/10.2172/1873057

Frank, M.P., & Shukla, K. (2021). Quantum foundations of classical reversible computing [Presentation]. Entropy. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85108017682&origin=inward

Schmucker, S.W., Frederick, E., Campbell, Q., Ivie, J.A., Anderson, E.M., Dwyer, K., Baczewski, A.D., Wang, G.T., Butera, R., & Misra, S. (2021). Atomic Precision Advanced Manufacturing and Lessons for Area-Selective Deposition [Conference Presentation]. 10.2172/1877517

Hardesty, S., Antil, H., Kouri, D.P., & Ridzal, D. (2021). The Strip Method for Shape Derivatives [Conference Presentation]. 10.2172/1876593

Chance, F.S. (2021). Lessons from Dragonflies in Brain-inspired Computing [Conference Presentation]. 10.2172/1882308

Loe, J.A., Glusa, C., Yamazaki, I., Boman, E.G., & Rajamanickam, S. (2021). Experimental Evaluation of Multiprecision Strategies for GMRES on GPUs [Conference Presentation]. 2021 IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2021 - In conjunction with IEEE IPDPS 2021. 10.2172/1869548

Magann, A.B., Grace, M.D., Rabitz, H.A., & Sarovar, M. (2021). Digital quantum simulation of molecular dynamics and control [Conference Poster]. Physical Review Research. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85115906740&origin=inward

D'Elia, M., Glusa, C., & Burkovska, O. (2021). An optimization-based approach to parameter learning for fractional type nonlocal models. Computers and Mathematics with Applications (Oxford), 116. 10.1016/j.camwa.2021.05.005

Russo, A.E., Rudinger, K.M., Morrison, B., & Baczewski, A.D. (2021). Evaluating Energy Differences on a Quantum Computer with Robust Phase Estimation. Physical Review Letters, 126(21). 10.1103/physrevlett.126.210501

Schultz, P.A., Hjalmarson, H.P., Berg, M., Bussmann, E., Scrymgeour, D., Ohta, T., & Moore, C.H. (2021). First-principles calculations of metal surfaces. II. Properties of low-index platinum surfaces toward understanding electron emission. Physical Review B, 103(19). 10.1103/physrevb.103.195427

Schultz, P.A. (2021). First-principles calculations of metal surfaces. I. Slab-consistent bulk reference for convergent surface properties. Physical Review B, 103(19). 10.1103/physrevb.103.195426

Ates, E., Aksar, B., Leung, V.J., & Coskun, A.K. (2021). Counterfactual Explanations for Multivariate Time Series [Conference Proceeding]. 2021 International Conference on Applied Artificial Intelligence, ICAPAI 2021. 10.1109/ICAPAI49758.2021.9462056

Liu, J., Maltzahn, C., Ulmer, C., & Curry, M.L. (2021). Performance Characteristics of the BlueField-2 SmartNIC. 10.2172/1783736

Schultz, P.A., van Ginhoven, R.M., & Edwards, A.H. (2021). Theoretical study of intrinsic defects in cubic silicon carbide 3C -SiC. Physical Review B, 103(19). 10.1103/physrevb.103.195202

Lewis, C., Phipps, E.T., & Kolda, T.G. (2021). Distributed Generalized Canonical Polyadic Decomposition [Conference Presentation]. 10.2172/1870276

Maupin, K.A. (2021). Calibration and Propagation of Model Form Error Across Experimental Settings [Presentation]. https://www.osti.gov/biblio/1866901

Steyer, A.J., & Kuether, R.J. (2021). Connecting Functions of Nonlinear Ordinary Differential Equations [Conference Presentation]. 10.2172/1870270

Tranchida, J., Cusentino, M.A., Wood, M.A., & Thompson, A.P. (2021). First-principles and classical computational study of W/ZrC interfaces [Conference Poster]. 10.2172/1866898