Publications

Bhatia, Harsh, Robert M. Kirby, Valerio Pascucci, and Peer-Timo Bremer. 2021. “Vector Field Decompositions Using Multiscale Poisson Kernel.” IEEE Transactions on Visualization and Computer Graphics 27 (9): 3781–93. https://doi.org/10.1109/tvcg.2020.2984413.

Petrone, Floriana, Norman Abrahamson, David McCallen, Arben Pitarka, and Arthur Rodgers. 2021. “Engineering Evaluation of the EQSIM Simulated Ground‐motion Database: The San Francisco Bay Area Region.” Earthquake Engineering & Structural Dynamics 50 (15): 3939–61. https://doi.org/10.1002/eqe.3540.

Trott, Christian, Luc Berger-Vergiat, David Poliakoff, Sivasankaran Rajamanickam, Damien Lebrun-Grandie, Jonathan Madsen, Nader Al Awar, Milos Gligoric, Galen Shipman, and Geoff Womeldorff. 2021. “The Kokkos EcoSystem: Comprehensive Performance Portability for High Performance Computing.” Computing in Science & Engineering 23 (5): 10–18. https://doi.org/10.1109/mcse.2021.3098509.

Fedeli, L., A. Sainte-Marie, N. Zaim, M. Thévenet, J. L. Vay, A. Myers, F. Quéré, and H. Vincenti. 2021. “Probing Strong-Field QED with Doppler-Boosted Petawatt-Class Lasers.” Physical Review Letters 127 (11). https://doi.org/10.1103/physrevlett.127.114801.

Alexander, Francis J, James Ang, Jenna A Bilbrey, Jan Balewski, Tiernan Casey, Ryan Chard, Jong Choi, et al. 2021. “Co-Design Center for Exascale Machine Learning Technologies (ExaLearn).” The International Journal of High Performance Computing Applications 35 (6): 598–616. https://doi.org/10.1177/10943420211029302.

Acer, Seher, Ariful Azad, Erik G Boman, Aydın Buluç, Karen D. Devine, SM Ferdous, Nitin Gawande, et al. 2021. “EXAGRAPH: Graph and Combinatorial Methods for Enabling Exascale Applications.” The International Journal of High Performance Computing Applications 35 (6): 553–71. https://doi.org/10.1177/10943420211029299.

Sitaraman, Hariswaran, Shashank Yellapantula, Marc T. Henry de Frahan, Bruce Perry, Jon Rood, Ray Grout, and Marc Day. 2021. “Adaptive Mesh Based Combustion Simulations of Direct Fuel Injection Effects in a Supersonic Cavity Flame-Holder.” Combustion and Flame 232 (October): 111531. https://doi.org/10.1016/j.combustflame.2021.111531.

Sitaraman, Hariswaran, Shashank Yellapantula, Marc T. Henry de Frahan, Bruce Perry, Jon Rood, Ray Grout, and Marc Day. 2021. “Adaptive Mesh Based Combustion Simulations of Direct Fuel Injection Effects in a Supersonic Cavity Flame-Holder.” Combustion and Flame 232 (October): 111531. https://doi.org/10.1016/j.combustflame.2021.111531.

Vay, J.-L., A. Huebl, R. Lehe, N.M. Cook, R.J. England, U. Niedermayer, P. Piot, F. Tsung, and D. Winklehner. 2021. “Modeling of Advanced Accelerator Concepts.” Journal of Instrumentation 16 (10): T10003. https://doi.org/10.1088/1748-0221/16/10/t10003.

Sagan, D., M. Berz, N.M. Cook, Y. Hao, G. Hoffstaetter, A. Huebl, C.-K. Huang, et al. 2021. “Simulations of Future Particle Accelerators: Issues and Mitigations.” Journal of Instrumentation 16 (10): T10002. https://doi.org/10.1088/1748-0221/16/10/t10002.

Lyngaas, Isaac, Matt Norman, and Youngsung Kim. 2021. “SAM++: Porting the E3SM-MMF Cloud Resolving Model Using a C++ Portability Library.” The International Journal of High Performance Computing Applications, October, 109434202110444. https://doi.org/10.1177/10943420211044495.

Grützmacher, Thomas, Hartwig Anzt, and Enrique S. Quintana‐Ortí. 2021. “Using Ginkgo’s Memory Accessor for Improving the Accuracy of Memory‐bound Low Precision BLAS.” Software: Practice and Experience, October. https://doi.org/10.1002/spe.3041.

Harville, Taylor, and Mark S. Gordon. 2021. “Electronic Structure Theory Calculations Using Modern Architectures: KNL Vs Haswell.” Journal of Chemical Theory and Computation 17 (11): 6910–17. https://doi.org/10.1021/acs.jctc.1c00705.

Witt, M., A. Psaltis, H. Yasin, C. Horn, M. Reichert, T. Kuroda, M. Obergaulinger, S. M. Couch, and A. Arcones. 2021. “Post-Explosion Evolution of Core-Collapse Supernovae.” The Astrophysical Journal 921 (1): 19. https://doi.org/10.3847/1538-4357/ac1a6d.

Fields, C. E., and Sean M. Couch. 2021. “Three-Dimensional Hydrodynamic Simulations of Convective Nuclear Burning in Massive Stars Near Iron Core Collapse.” The Astrophysical Journal 921 (1): 28. https://doi.org/10.3847/1538-4357/ac24fb.

Sandoval, Michael A., W. Raphael Hix, O. E. Bronson Messer, Eric J. Lentz, and J. Austin Harris. 2021. “Three-Dimensional Core-Collapse Supernova Simulations with 160 Isotopic Species Evolved to Shock Breakout.” The Astrophysical Journal 921 (2): 113. https://doi.org/10.3847/1538-4357/ac1d49.

Germann, Timothy C. 2021. “Co-Design in the Exascale Computing Project.” The International Journal of High Performance Computing Applications 35 (6): 503–7. https://doi.org/10.1177/10943420211059380.

Sitaraman, Hariswaran, Nicholas Brunhart-Lupo, Marc Henry de Frahan, Shashank Yellapantula, Bruce Perry, Jon Rood, Ray Grout, Marc Day, Roba Binyahib, and Kenny Gruchalla. 2020. “Video: Direct Fuel Injection Effects in a Supersonic Cavity Flameholder.” 73th Annual Meeting of the APS Division of Fluid Dynamics - Gallery of Fluid Motion, November. https://doi.org/10.1103/aps.dfd.2020.gfm.v0026.

Richers, Sherwood, Donald Willcox, and Nicole Ford. 2021. “Neutrino Fast Flavor Instability in Three Dimensions.” Physical Review D 104 (10). https://doi.org/10.1103/physrevd.104.103023.

Clyde, Austin, Stephanie Galanie, Daniel W. Kneller, Heng Ma, Yadu Babuji, Ben Blaiszik, Alexander Brace, et al. 2021. “High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.” Journal of Chemical Information and Modeling 62 (1): 116–28. https://doi.org/10.1021/acs.jcim.1c00851.

Carson, Erin, Tomáš Gergelits, and Ichitaro Yamazaki. 2021. “Mixed Precision s ‐step Lanczos and Conjugate Gradient Algorithms.” Numerical Linear Algebra with Applications, November. https://doi.org/10.1002/nla.2425.

Shapoval, Olga, Remi Lehe, Maxence Thévenet, Edoardo Zoni, Yinjian Zhao, and Jean-Luc Vay. 2021. “Overcoming Timestep Limitations in Boosted-Frame Particle-in-Cell Simulations of Plasma-Based Acceleration.” Physical Review E 104 (5). https://doi.org/10.1103/physreve.104.055311.

Eggenberger Andersen, Oliver, Shuai Zha, André da Silva Schneider, Aurore Betranhandy, Sean M. Couch, and Evan P. O’Connor. 2021. “Equation-of-State Dependence of Gravitational Waves in Core-Collapse Supernovae.” The Astrophysical Journal 923 (2): 201. https://doi.org/10.3847/1538-4357/ac294c.

Zhou, Keren, Laksono Adhianto, Jonathon Anderson, Aaron Cherian, Dejan Grubisic, Mark Krentel, Yumeng Liu, Xiaozhu Meng, and John Mellor-Crummey. 2021. “Measurement and Analysis of GPU-Accelerated Applications with HPCToolkit.” Parallel Computing 108 (December): 102837. https://doi.org/10.1016/j.parco.2021.102837.

Myers, A., A. Almgren, L.D. Amorim, J. Bell, L. Fedeli, L. Ge, K. Gott, et al. 2021. “Porting WarpX to GPU-Accelerated Platforms.” Parallel Computing 108 (December): 102833. https://doi.org/10.1016/j.parco.2021.102833.

Myers, A., A. Almgren, L.D. Amorim, J. Bell, L. Fedeli, L. Ge, K. Gott, et al. 2021. “Porting WarpX to GPU-Accelerated Platforms.” Parallel Computing 108 (December): 102833. https://doi.org/10.1016/j.parco.2021.102833.

Moreland, Kenneth, Robert Maynard, David Pugmire, Abhishek Yenpure, Allison Vacanti, Matthew Larsen, and Hank Childs. 2021. “Minimizing Development Costs for Efficient Many-Core Visualization Using MCD3.” Parallel Computing 108 (December): 102834. https://doi.org/10.1016/j.parco.2021.102834.

Mills, Richard Tran, Mark F. Adams, Satish Balay, Jed Brown, Alp Dener, Matthew Knepley, Scott E. Kruger, et al. 2021. “Toward Performance-Portable PETSc for GPU-Based Exascale Systems.” Parallel Computing 108 (December): 102831. https://doi.org/10.1016/j.parco.2021.102831.

Dosanjh, Matthew G.F., Andrew Worley, Derek Schafer, Prema Soundararajan, Sheikh Ghafoor, Anthony Skjellum, Purushotham V. Bangalore, and Ryan E. Grant. 2021. “Implementation and Evaluation of MPI 4.0 Partitioned Communication Libraries.” Parallel Computing 108 (December): 102827. https://doi.org/10.1016/j.parco.2021.102827.

Couch, Sean M., Jared Carlson, Michael Pajkos, Brian W. O’Shea, Anshu Dubey, and Tom Klosterman. 2021. “Towards Performance Portability in the Spark Astrophysical Magnetohydrodynamics Solver in the Flash-X Simulation Framework.” Parallel Computing 108 (December): 102830. https://doi.org/10.1016/j.parco.2021.102830.

Balos, Cody J., David J. Gardner, Carol S. Woodward, and Daniel R. Reynolds. 2021. “Enabling GPU Accelerated Computing in the SUNDIALS Time Integration Library.” Parallel Computing 108 (December): 102836. https://doi.org/10.1016/j.parco.2021.102836.

Abdelfattah, Ahmad, Valeria Barra, Natalie Beams, Ryan Bleile, Jed Brown, Jean-Sylvain Camier, Robert Carson, et al. 2021. “GPU Algorithms for Efficient Exascale Discretizations.” Parallel Computing 108 (December): 102841. https://doi.org/10.1016/j.parco.2021.102841.

Desai, Saaketh, Samuel Temple Reeve, and James F. Belak. 2022. “Implementing a Neural Network Interatomic Model with Performance Portability for Emerging Exascale Architectures.” Computer Physics Communications 270 (January): 108156. https://doi.org/10.1016/j.cpc.2021.108156.

Harper, S.M., K. Smith, and B. Forget. 2022. “Efficient MC–CMFD Multiphysics.” Annals of Nuclear Energy 165 (January): 108773. https://doi.org/10.1016/j.anucene.2021.108773.

Peng, Ivy B., Maya B. Gokhale, Karim Youssef, Keita Iwabuchi, and Roger Pearce. 2022. “Enabling Scalable and Extensible Memory-Mapped Datastores in Userspace.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 866–77. https://doi.org/10.1109/tpds.2021.3086302.

Ghosh, Supriyo, Christopher K. Newman, and Marianne M. Francois. 2022. “Tusas: A Fully Implicit Parallel Approach for Coupled Phase-Field Equations.” Journal of Computational Physics 448 (January): 110734. https://doi.org/10.1016/j.jcp.2021.110734.

Hamilton, Steven P., Thomas M. Evans, Katherine E. Royston, and Elliott D. Biondo. 2022. “Domain Decomposition in the GPU-Accelerated Shift Monte Carlo Code.” Annals of Nuclear Energy 166 (February): 108687. https://doi.org/10.1016/j.anucene.2021.108687.

Thompson, Aidan P., H. Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in ’t Veld, et al. 2022. “LAMMPS - a Flexible Simulation Tool for Particle-Based Materials Modeling at the Atomic, Meso, and Continuum Scales.” Computer Physics Communications 271 (February): 108171. https://doi.org/10.1016/j.cpc.2021.108171.

Fullmer, William D., Roberto Porcu, Jordan Musser, Ann S. Almgren, and Ishan Srivastava. 2022. “The Divergence of Nearby Trajectories in Soft-Sphere DEM.” Particuology 63 (April): 1–8. https://doi.org/10.1016/j.partic.2021.06.008.

Azad, Ariful, Oguz Selvitopi, Md Taufique Hussain, John R. Gilbert, and Aydn Buluc. 2022. “Combinatorial BLAS 2.0: Scaling Combinatorial Algorithms on Distributed-Memory Systems.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 989–1001. https://doi.org/10.1109/tpds.2021.3094091.

Hudson, Stephen, Jeffrey Larson, John-Luke Navarro, and Stefan M. Wild. 2022. “libEnsemble: A Library to Coordinate the Concurrent Evaluation of Dynamic Ensembles of Calculations.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 977–88. https://doi.org/10.1109/tpds.2021.3082815.

Wan, Lipeng, Axel Huebl, Junmin Gu, Franz Poeschel, Ana Gainaru, Ruonan Wang, Jieyang Chen, et al. 2022. “Improving I/O Performance for Exascale Applications Through Online Data Layout Reorganization.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 878–90. https://doi.org/10.1109/tpds.2021.3100784.

Ghosh, Sayan, Nathan Tallent, and Mahantesh Halappanavar. 2021. “Characterizing Performance of Graph Neighborhood Communication Patterns.” IEEE Transactions on Parallel and Distributed Systems, 1–1. https://doi.org/10.1109/tpds.2021.3101425.

Tang, Houjun, Quincey Koziol, John Ravi, and Suren Byna. 2022. “Transparent Asynchronous Parallel I/O Using Background Threads.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 891–902. https://doi.org/10.1109/tpds.2021.3090322.

Zhou, Keren, Xiaozhu Meng, Ryuichi Sai, Dejan Grubisic, and John Mellor-Crummey. 2022. “An Automated Tool for Analysis and Tuning of GPU-Accelerated Code in HPC Applications.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 854–65. https://doi.org/10.1109/tpds.2021.3094169.

Zhang, Junchao, Jed Brown, Satish Balay, Jacob Faibussowitsch, Matthew Knepley, Oana Marin, Richard Tran Mills, Todd Munson, Barry F. Smith, and Stefano Zampini. 2022. “The PetscSF Scalable Communication Layer.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 842–53. https://doi.org/10.1109/tpds.2021.3084070.

Trott, Christian R., Damien Lebrun-Grandie, Daniel Arndt, Jan Ciesko, Vinh Dang, Nathan Ellingwood, Rahulkumar Gayatri, et al. 2022. “Kokkos 3: Programming Model Extensions for the Exascale Era.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 805–17. https://doi.org/10.1109/tpds.2021.3097283.

Gaihre, Anil, Xiaoye Sherry Li, and Hang Liu. 2022. “gSoFa: Scalable Sparse Symbolic LU Factorization on GPUs.” IEEE Transactions on Parallel and Distributed Systems 33 (4): 1015–26. https://doi.org/10.1109/tpds.2021.3090316.

Thavappiragasam, Mathialakan, Vivek Kale, Oscar Hernandez, and Ada Sedova. 2021. “Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling Across Multiple GPUs.” 2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM), December. https://doi.org/10.1109/bibm52615.2021.9669317.

Williams-Young, David B., Abhishek Bagusetty, Wibe A. de Jong, Douglas Doerfler, Hubertus J.J. van Dam, Álvaro Vázquez-Mayagoitia, Theresa L. Windus, and Chao Yang. 2021. “Achieving Performance Portability in Gaussian Basis Set Density Functional Theory on Accelerator Based Architectures in NWChemEx.” Parallel Computing 108 (December): 102829. https://doi.org/10.1016/j.parco.2021.102829.

Sane, Sudhanshu, Abhishek Yenpure, Roxana Bujack, Matthew Larsen, Kenneth Moreland, Christoph Garth, Chris R. Johnson, and Hank Childs. 2021. “Scalable In Situ Computation of Lagrangian Representations via Local Flow Maps.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20211040.

Binyahib, Roba, David Pugmire, and Hank Childs. 2021. “HyLiPoD: Parallel Particle Advection Via a Hybrid of Lifeline Scheduling and Parallelization-Over-Data.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20211038.

Bauer, Michael, Wonchan Lee, Elliott Slaughter, Zhihao Jia, Mario Di Renzo, Manolis Papadakis, Galen Shipman, Patrick McCormick, Michael Garland, and Alex Aiken. 2021. “Scaling Implicit Parallelism via Dynamic Control Replication.” Proceedings of the 26th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3437801.3441587.

Eldred, Christopher, and François Gay-Balmaz. 2021. “Thermodynamically Consistent Semi-Compressible Fluids: a Variational Perspective.” Journal of Physics A: Mathematical and Theoretical 54 (34): 345701. https://doi.org/10.1088/1751-8121/ac1384.

Mehta, Kshitij, Bryce Allen, Matthew Wolf, Jeremy Logan, Eric Suchyta, Swati Singhal, Jong Y. Choi, et al. 2021. “A Codesign Framework for Online Data Analysis and Reduction.” Concurrency and Computation: Practice and Experience, August. https://doi.org/10.1002/cpe.6519.

Kommera, Pranay Reddy, Vinay Ramakrishnaiah, Christine Sweeney, Jeffrey Donatelli, and Petrus H. Zwart. 2021. “GPU-Accelerated Multitiered Iterative Phasing Algorithm for Fluctuation X-Ray Scattering.” Journal of Applied Crystallography 54 (4): 1179–88. https://doi.org/10.1107/s1600576721005744.

Guo, Hanqi, David Lenz, Jiayi Xu, Xin Liang, Wenbin He, Iulian R. Grindeanu, Han-Wei Shen, Tom Peterka, Todd Munson, and Ian Foster. 2021. “FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking.” IEEE Transactions on Visualization and Computer Graphics 27 (8): 3463–80. https://doi.org/10.1109/tvcg.2021.3073399.

Harris, J. Austin, Ran Chu, Sean M Couch, Anshu Dubey, Eirik Endeve, Antigoni Georgiadou, Rajeev Jain, et al. 2021. “Exascale Models of Stellar Explosions: Quintessential Multi-Physics Simulation.” The International Journal of High Performance Computing Applications 36 (1): 59–77. https://doi.org/10.1177/10943420211027937.

Harris, J. Austin, Ran Chu, Sean M Couch, Anshu Dubey, Eirik Endeve, Antigoni Georgiadou, Rajeev Jain, et al. 2021. “Exascale Models of Stellar Explosions: Quintessential Multi-Physics Simulation.” The International Journal of High Performance Computing Applications 36 (1): 59–77. https://doi.org/10.1177/10943420211027937.

Hannah, Walter M., Andrew M. Bradley, Oksana Guba, Qi Tang, Jean‐Christophe Golaz, and Jon Wolfe. 2021. “Separating Physics and Dynamics Grids for Improved Computational Efficiency in Spectral Element Earth System Models.” Journal of Advances in Modeling Earth Systems 13 (7). https://doi.org/10.1029/2020ms002419.

Mniszewski, Susan M, James Belak, Jean-Luc Fattebert, Christian FA Negre, Stuart R Slattery, Adetokunbo A Adedoyin, Robert F Bird, et al. 2021. “Enabling Particle Applications for Exascale Computing Platforms.” The International Journal of High Performance Computing Applications 35 (6): 572–97. https://doi.org/10.1177/10943420211022829.

Fang, Jun, Dillon R. Shaver, Ananias Tomboulides, Misun Min, Paul Fischer, Yu-Hsiang Lan, Ronald Rahaman, et al. 2021. “Feasibility of Full-Core Pin Resolved CFD Simulations of Small Modular Reactor with Momentum Sources.” Nuclear Engineering and Design 378 (July): 111143. https://doi.org/10.1016/j.nucengdes.2021.111143.

Wang, Sophie, and Tianfeng Lu. 2021. “A Spectral Method for Fast Sensitivity Analysis: Perfectly Stirred Reactors.” Combustion and Flame 229 (July): 111414. https://doi.org/10.1016/j.combustflame.2021.111414.

Lambert, Jacob, Seyong Lee, Jeffrey S. Vetter, and Allen D. Malony. 2021. “Optimization with the OpenACC-to-FPGA Framework on the Arria 10 and Stratix 10 FPGAs.” Parallel Computing 104-105 (July): 102784. https://doi.org/10.1016/j.parco.2021.102784.

Cho, Eunice, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, et al. 2021. “Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites.” Journal of Chemical Information and Modeling 61 (6): 3058–73. https://doi.org/10.1021/acs.jcim.1c00449.

Zahariev, F., and M. S. Gordon. 2021. “Combined Quantum Monte Carlo – Effective Fragment Molecular Orbital Method: Fragmentation Across Covalent Bonds.” Physical Chemistry Chemical Physics 23 (26): 14308–14. https://doi.org/10.1039/d0cp06528e.

Foster, Ian, Mark Ainsworth, Julie Bessac, Franck Cappello, Jong Choi, Sheng Di, Zichao Di, et al. 2021. “Online Data Analysis and Reduction: An Important Co-Design Motif for Extreme-Scale Computers.” The International Journal of High Performance Computing Applications 35 (6): 617–35. https://doi.org/10.1177/10943420211023549.

Zhang, Weiqun, Andrew Myers, Kevin Gott, Ann Almgren, and John Bell. 2021. “AMReX: Block-Structured Adaptive Mesh Refinement for Multiphysics Applications.” The International Journal of High Performance Computing Applications 35 (6): 508–26. https://doi.org/10.1177/10943420211022811.

Kolev, Tzanio, Paul Fischer, Misun Min, Jack Dongarra, Jed Brown, Veselin Dobrev, Tim Warburton, et al. 2021. “Efficient Exascale Discretizations: High-Order Finite Element Methods.” The International Journal of High Performance Computing Applications 35 (6): 527–52. https://doi.org/10.1177/10943420211020803.

Xu, Jiayi, Hanqi Guo, Han-Wei Shen, Mukund Raj, Xueyun Wang, Xueqiao Xu, Zhehui Wang, and Tom Peterka. 2021. “Asynchronous and Load-Balanced Union-Find for Distributed and Parallel Scientific Data Visualization and Analysis.” IEEE Transactions on Visualization and Computer Graphics 27 (6): 2808–20. https://doi.org/10.1109/tvcg.2021.3074584.

Sivaraman, Ganesh, Jicheng Guo, Logan Ward, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, and Nicholas Jackson. 2021. “Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl.” The Journal of Physical Chemistry Letters 12 (17): 4278–85. https://doi.org/10.1021/acs.jpclett.1c00901.

Gropp, William, Rajeev Thakur, and Pavan Balaji. 2021. “Translational Research in the MPICH Project.” Journal of Computational Science 52 (May): 101203. https://doi.org/10.1016/j.jocs.2020.101203.

Harpole, A., N. M. Ford, K. Eiden, M. Zingale, D. E. Willcox, Y. Cavecchi, and M. P. Katz. 2021. “Dynamics of Laterally Propagating Flames in X-Ray Bursts. II. Realistic Burning and Rotation.” The Astrophysical Journal 912 (1): 36. https://doi.org/10.3847/1538-4357/abee87.

Waldrop, Jonathan M., Theresa L. Windus, and Niranjan Govind. 2021. “Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning Approaches.” The Journal of Physical Chemistry A 125 (29): 6384–93. https://doi.org/10.1021/acs.jpca.1c03821.

Wells, Scott, Alex Plotkowski, and Matthew John M. Krane. 2021. “Propagation of Input Uncertainties in Numerical Simulations of Laser Powder Bed Fusion.” Metallurgical and Materials Transactions B 52 (5): 3016–31. https://doi.org/10.1007/s11663-021-02218-2.

Boudwin, Kathlyn, Douglas Collins, Cathleen Lavelle, and Julia White. 2020. “Navigating the Road to Successfully Manage a Large-Scale Research and Development Project: The Exascale Computing Project (ECP) Experience.” Driving Scientific and Engineering Discoveries Through the Convergence of HPC, Big Data and AI, 381–93. https://doi.org/10.1007/978-3-030-63393-6_25.

Sane, Sudhanshu, Chris R. Johnson, and Hank Childs. 2021. “Investigating In Situ Reduction via Lagrangian Representations for Cosmology and Seismology Applications.” Lecture Notes in Computer Science, 436–50. https://doi.org/10.1007/978-3-030-77961-0_36.

Romero, Eloy, Andreas Stathopoulos, and Kostas Orginos. 2020. “Multigrid Deflation for Lattice QCD.” Journal of Computational Physics 409 (May): 109356. https://doi.org/10.1016/j.jcp.2020.109356.

Wilson, David J., Raúl A. Briceño, Jozef J. Dudek, Robert G. Edwards, and Christopher E. Thomas. 2019. “Quark-Mass Dependence of Elastic πK Scattering from QCD.” Physical Review Letters 123 (4). https://doi.org/10.1103/physrevlett.123.042002.

Woss, Antoni J., Christopher E. Thomas, Jozef J. Dudek, Robert G. Edwards, and David J. Wilson. 2019. “B1 Resonance in Coupled Πω , Πϕ Scattering from Lattice QCD.” Physical Review D 100 (5). https://doi.org/10.1103/physrevd.100.054506.

Sufian, Raza Sabbir, Colin Egerer, Joseph Karpie, Robert G. Edwards, Bálint Joó, Yan-Qing Ma, Kostas Orginos, Jian-Wei Qiu, and David G. Richards. 2020. “Pion Valence Quark Distribution from Current-Current Correlation in Lattice QCD.” Physical Review D 102 (5). https://doi.org/10.1103/physrevd.102.054508.

Hansen, Maxwell T., Raul A. Briceño, Robert G. Edwards, Christopher E. Thomas, and David J. Wilson. 2021. “Energy-Dependent Π+π+π+ Scattering Amplitude from QCD.” Physical Review Letters 126 (1). https://doi.org/10.1103/physrevlett.126.012001.

Woss, Antoni J., Jozef J. Dudek, Robert G. Edwards, Christopher E. Thomas, and David J. Wilson. 2021. “Decays of an Exotic 1−+ Hybrid Meson Resonance in QCD.” Physical Review D 103 (5). https://doi.org/10.1103/physrevd.103.054502.

Egerer, Colin, Robert G. Edwards, Kostas Orginos, and David G. Richards. 2021. “Distillation at High Momentum.” Physical Review D 103 (3). https://doi.org/10.1103/physrevd.103.034502.

Hoang, Duong, Brian Summa, Harsh Bhatia, Peter Lindstrom, Pavol Klacansky, Will Usher, Peer-Timo Bremer, and Valerio Pascucci. 2021. “Efficient and Flexible Hierarchical Data Layouts for a Unified Encoding of Scalar Field Precision and Resolution.” IEEE Transactions on Visualization and Computer Graphics 27 (2): 603–13. https://doi.org/10.1109/tvcg.2020.3030381.

Huang, Xinyi, Suphanut Jamonnak, Ye Zhao, Boyu Wang, Minh Hoai, Kevin Yager, and Wei Xu. 2021. “Interactive Visual Study of Multiple Attributes Learning Model of X-Ray Scattering Images.” IEEE Transactions on Visualization and Computer Graphics 27 (2): 1312–21. https://doi.org/10.1109/tvcg.2020.3030384.

Chen, Haotian, Stefan Tirkas, and Scott E. Parker. 2021. “Excitation of Zonal Flow by Intermediate-Scale Toroidal Electron Temperature Gradient Turbulence.” Nuclear Fusion 61 (6): 066017. https://doi.org/10.1088/1741-4326/abf81a.

McCallen, David, Houjun Tang, Suiwen Wu, Eric Eckert, Junfei Huang, and N Anders Petersson. 2021. “Coupling of Regional Geophysics and Local Soil-Structure Models in the EQSIM Fault-to-Structure Earthquake Simulation Framework.” The International Journal of High Performance Computing Applications 36 (1): 78–92. https://doi.org/10.1177/10943420211019118.

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Ganeriwala, Rishi K., Neil E. Hodge, and Jerome M. Solberg. 2021. “Towards Improved Speed and Accuracy of Laser Powder Bed Fusion Simulations via Multiscale Spatial Representations.” Computational Materials Science 187 (February): 110112. https://doi.org/10.1016/j.commatsci.2020.110112.

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Dosanjh, Matthew G. F., S. Mahdieh Ghazimirsaeed, Ryan E. Grant, Whit Schonbein, Michael J. Levenhagen, Patrick G. Bridges, and Ahmad Afsahi. 2018. “The Case for Semi-Permanent Cache Occupancy.” Proceedings of the 47th International Conference on Parallel Processing, August. https://doi.org/10.1145/3225058.3225130.

Hjelm, Nathan, Matthew G. F. Dosanjh, Ryan E. Grant, Taylor Groves, Patrick Bridges, and Dorian Arnold. 2018. “Improving MPI Multi-Threaded RMA Communication Performance.” Proceedings of the 47th International Conference on Parallel Processing, August. https://doi.org/10.1145/3225058.3225114.

Herault, Thomas, Yves Robert, Aurelien Bouteiller, Dorian Arnold, Kurt Ferreira, George Bosilca, and Jack Dongarra. 2018. “Optimal Cooperative Checkpointing for Shared High-Performance Computing Platforms.” 2018 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw.2018.00127.

Schonbein, Whit, Matthew G. F. Dosanjh, Ryan E. Grant, and Patrick G. Bridges. 2018. “Measuring Multithreaded Message Matching Misery.” Lecture Notes in Computer Science, 480–91. https://doi.org/10.1007/978-3-319-96983-1_34.

Eberius, David, Thananon Patinyasakdikul, and George Bosilca. 2017. “Using Software-Based Performance Counters to Expose Low-Level Open MPI Performance Information.” Proceedings of the 24th European MPI Users’ Group Meeting on - EuroMPI ’17. https://doi.org/10.1145/3127024.3127039.

Castain, Ralph H., David Solt, Joshua Hursey, and Aurelien Bouteiller. 2017. “PMIx.” Proceedings of the 24th European MPI Users’ Group Meeting on - EuroMPI ’17. https://doi.org/10.1145/3127024.3127027.

Anzt, Hartwig, Yen-Chen Chen, Terry Cojean, Jack Dongarra, Goran Flegar, Pratik Nayak, Enrique S. Quintana-Ortí, Yuhsiang M. Tsai, and Weichung Wang. 2019. “Towards Continuous Benchmarking.” Proceedings of the Platform for Advanced Scientific Computing Conference, June. https://doi.org/10.1145/3324989.3325719.

Anzt, Hartwig, Jack Dongarra, Goran Flegar, Nicholas J. Higham, and Enrique S. Quintana-Ortí. 2018. “Adaptive Precision in Block-Jacobi Preconditioning for Iterative Sparse Linear System Solvers.” Concurrency and Computation: Practice and Experience 31 (6): e4460. https://doi.org/10.1002/cpe.4460.

Sao, Piyush, Xiaoye Sherry Li, and Richard Vuduc. 2018. “A Communication-Avoiding 3D LU Factorization Algorithm for Sparse Matrices.” 2018 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2018.00100.

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Rodgers, Arthur J., Arben Pitarka, and David B. McCallen. 2019. “The Effect of Fault Geometry and Minimum Shear Wavespeed on 3D Ground-Motion Simulations for an Mw 6.5 Hayward Fault Scenario Earthquake, San Francisco Bay Area, Northern California.” Bulletin of the Seismological Society of America 109 (4): 1265–81. https://doi.org/10.1785/0120180290.

Johansen, Hans, Arthur Rodgers, N. Anders Petersson, David McCallen, Bjorn Sjogreen, and Mamun Miah. 2017. “Toward Exascale Earthquake Ground Motion Simulations for Near-Fault Engineering Analysis.” Computing in Science & Engineering 19 (5): 27–37. https://doi.org/10.1109/mcse.2017.3421558.

Rodgers, Arthur J., Arben Pitarka, N. Anders Petersson, Björn Sjögreen, and David B. McCallen. 2018. “Broadband (0–4 Hz) Ground Motions for a Magnitude 7.0 Hayward Fault Earthquake With Three‐Dimensional Structure and Topography.” Geophysical Research Letters 45 (2): 739–47. https://doi.org/10.1002/2017gl076505.

Wang, Xinlei, Yuxing Qiu, Stuart R. Slattery, Yu Fang, Minchen Li, Song-Chun Zhu, Yixin Zhu, Min Tang, Dinesh Manocha, and Chenfanfu Jiang. 2020. “A Massively Parallel and Scalable Multi-GPU Material Point Method.” ACM Transactions on Graphics 39 (4). https://doi.org/10.1145/3386569.3392442.

Abdelfattah, Ahmad, Stanimire Tomov, and Jack Dongarra. 2020. “Matrix Multiplication on Batches of Small Matrices in Half and Half-Complex Precisions.” Journal of Parallel and Distributed Computing 145 (November): 188–201. https://doi.org/10.1016/j.jpdc.2020.07.001.

Khan, Arif, Krzysztof Choromanski, Alex Pothen, S. M. Ferdous, Mahantesh Halappanavar, and Antonino Tumeo. 2018. “Adaptive Anonymization of Data Using b-Edge Cover.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00062.

Ghosh, Sayan, Mahantesh Halappanavar, Ananth Kalyanaraman, Arif Khan, and Assefaw H. Gebremedhin. 2019. “Exploring MPI Communication Models for Graph Applications Using Graph Matching as a Case Study.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00085.

Minutoli, Marco, Mahantesh Halappanavar, Ananth Kalyanaraman, Arun Sathanur, Ryan Mcclure, and Jason McDermott. 2019. “Fast and Scalable Implementations of Influence Maximization Algorithms.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8890991.

Ghosh, Sayan, Mahantesh Halappanavar, Antonino Tumeo, and Ananth Kalyanarainan. 2019. “Scaling and Quality of Modularity Optimization Methods for Graph Clustering.” 2019 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2019.8916299.

Liu, Xu T., Mahantesh Halappanavar, Kevin J. Barker, Andrew Lumsdaine, and Assefaw H. Gebremedhin. 2020. “Direction-Optimizing Label Propagation and Its Application to Community Detection.” Proceedings of the 17th ACM International Conference on Computing Frontiers, May. https://doi.org/10.1145/3387902.3392634.

Stoudt, M. R., M. E. Williams, L. E. Levine, A. Creuziger, S. A. Young, J. C. Heigel, B. M. Lane, and T. Q. Phan. 2020. “Location-Specific Microstructure Characterization Within IN625 Additive Manufacturing Benchmark Test Artifacts.” Integrating Materials and Manufacturing Innovation 9 (1): 54–69. https://doi.org/10.1007/s40192-020-00172-6.

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Zhang, Fan, Lyle E. Levine, Andrew J. Allen, Sandra W. Young, Maureen E. Williams, Mark R. Stoudt, Kil-Won Moon, Jarred C. Heigel, and Jan Ilavsky. 2019. “Phase Fraction and Evolution of Additively Manufactured (AM) 15-5 Stainless Steel and Inconel 625 AM-Bench Artifacts.” Integrating Materials and Manufacturing Innovation 8 (3): 362–77. https://doi.org/10.1007/s40192-019-00148-1.

Phan, Thien Q., Maria Strantza, Michael R. Hill, Thomas H. Gnaupel-Herold, Jarred Heigel, Christopher R. D’Elia, Adrian T. DeWald, et al. 2019. “Elastic Residual Strain and Stress Measurements and Corresponding Part Deflections of 3D Additive Manufacturing Builds of IN625 AM-Bench Artifacts Using Neutron Diffraction, Synchrotron X-Ray Diffraction, and Contour Method.” Integrating Materials and Manufacturing Innovation 8 (3): 318–34. https://doi.org/10.1007/s40192-019-00149-0.

Shi, Rongpei, Saad Khairallah, Tae Wook Heo, Matthew Rolchigo, Joseph T. McKeown, and Manyalibo J. Matthews. 2019. “Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response.” JOM 71 (10): 3640–55. https://doi.org/10.1007/s11837-019-03618-1.

Radhakrishnan, Balasubramaniam, Sarma B Gorti, John A Turner, Ranadip Acharya, John A Sharon, Alexander Staroselsky, and Tahany El-Wardany. 2018. “Phase Field Simulations of Microstructure Evolution in IN718 Using a Surrogate Ni–Fe–Nb Alloy During Laser Powder Bed Fusion.” Metals 9 (1): 14. https://doi.org/10.3390/met9010014.

Roehling, John D., Aurélien Perron, Jean-Luc Fattebert, Tomorr Haxhimali, Gabe Guss, Tian T. Li, David Bober, et al. 2018. “Rapid Solidification in Bulk Ti-Nb Alloys by Single-Track Laser Melting.” JOM 70 (8): 1589–97. https://doi.org/10.1007/s11837-018-2920-2.

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Aaziz, Omar, Jeanine Cook, Courtenay Vaughan, and David Richards. 2019. “Proxy or Imposter? A Method and Case Study to Determine the Answer.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891049.

Bernholdt, David E., Swen Boehm, George Bosilca, Manjunath Gorentla Venkata, Ryan E. Grant, Thomas Naughton, Howard P. Pritchard, Martin Schulz, and Geoffroy R. Vallee. 2018. “A Survey of MPI Usage in the US Exascale Computing Project.” Concurrency and Computation: Practice and Experience 32 (3). https://doi.org/10.1002/cpe.4851.

Abdelfattah, Ahmad, Azzam Haidar, Stanimire Tomov, and Jack Dongarra. 2018. “Optimizing GPU Kernels for Irregular Batch Workloads: A Case Study for Cholesky Factorization.” 2018 IEEE High Performance Extreme Computing Conference (HPEC), September. https://doi.org/10.1109/hpec.2018.8547576.

Merzari, E., H. Yuan, A. Kraus, A. Obabko, P. Fischer, J. Solberg, S. Lee, J. Lai, M. Delgado, and Y. Hassan. 2018. “High-Fidelity Simulation of Flow-Induced Vibrations in Helical Steam Generators for Small Modular Reactors.” Nuclear Technology 205 (1-2): 33–47. https://doi.org/10.1080/00295450.2018.1490124.

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Zaki, George F., Justin M. Wozniak, Jonathan Ozik, Nicholson Collier, Thomas Brettin, and Rick Stevens. 2018. “Portable and Reusable Deep Learning Infrastructure with Containers to Accelerate Cancer Studies.” 2018 IEEE/ACM 4th International Workshop on Extreme Scale Programming Models and Middleware (ESPM2), November. https://doi.org/10.1109/espm2.2018.00011.

Wozniak, Justin M., Philip E. Davis, Tong Shu, Jonathan Ozik, Nicholson Collier, Manish Parashar, Ian Foster, Thomas Brettin, and Rick Stevens. 2018. “Scaling Deep Learning for Cancer with Advanced Workflow Storage Integration.” 2018 IEEE/ACM Machine Learning in HPC Environments (MLHPC), November. https://doi.org/10.1109/mlhpc.2018.8638629.

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Hamilton, Stephen, Randal Burns, Charles Meneveau, Perry Johnson, Peter Lindstrom, John Patchett, and Alexander S. Szalay. 2017. “Extreme Event Analysis in Next Generation Simulation Architectures.” High Performance Computing, 277–93. https://doi.org/10.1007/978-3-319-58667-0_15.

Kurzak, Jakub, Mark Gates, Ali Charara, Asim YarKhan, and Jack Dongarra. 2019. “Least Squares Solvers for Distributed-Memory Machines with GPU Accelerators.” Proceedings of the ACM International Conference on Supercomputing, June. https://doi.org/10.1145/3330345.3330356.

Kurzak, Jakub, Mark Gates, Ali Charara, Asim YarKhan, Ichitaro Yamazaki, and Jack Dongarra. 2019. “Linear Systems Solvers for Distributed-Memory Machines with GPU Accelerators.” Euro-Par 2019: Parallel Processing, 495–506. https://doi.org/10.1007/978-3-030-29400-7_35.

Gates, Mark, Jakub Kurzak, Ali Charara, Asim YarKhan, and Jack Dongarra. 2019. “SLATE.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356223.

Tsai, Karen C., Roxana Bujack, Berk Geveci, Utkarsh Ayachit, and James Ahrens. 2020. “Approaches for In Situ Computation of Moments in a Data-Parallel Environment.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20201075.

Li, Shaomeng, Matthew Larsen, John Clyne, and Hank Childs. 2017. “Performance Impacts of In Situ Wavelet Compression on Scientific Simulations.” Proceedings of the In Situ Infrastructures on Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3144769.3144773.

Marsaglia, Nicole J., Shaomeng Li, Kristi Belcher, Matthew Larsen, and Hank Childs. 2019. “Dynamic I/O Budget Reallocation For In Situ Wavelet Compression.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20191104.

Sane, Sudhanshu, Roxana Bujack, and Hank Childs. 2018. “Revisiting the Evaluation of In Situ Lagrangian Analysis.” Eurographics Symposium on Parallel Graphics and Visualization. The Eurographics Association. https://doi.org/10.2312/PGV.20181096.

Sane, Sudhanshu, Hank Childs, and Roxana Bujack. 2019. “An Interpolation Scheme for VDVP Lagrangian Basis Flows.” Eurographics Symposium on Parallel Graphics and Visualization. https://doi.org/10.2312/PGV.20191115.

Larsen, Matthew, Amy Woods, Nicole Marsaglia, Ayan Biswas, Soumya Dutta, Cyrus Harrison, and Hank Childs. 2018. “A Flexible System for in Situ Triggers.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3281464.3281468.

Larsen, Matthew, James Ahrens, Utkarsh Ayachit, Eric Brugger, Hank Childs, Berk Geveci, and Cyrus Harrison. 2017. “The ALPINE In Situ Infrastructure.” Proceedings of the In Situ Infrastructures on Enabling Extreme-Scale Analysis and Visualization, November. https://doi.org/10.1145/3144769.3144778.

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Biswas, Ayan, James P. Ahrens, Soumya Dutta, Jordan M. Musser, Ann S. Almgren, and Terece L. Turton. 2021. “Feature Analysis, Tracking, and Data Reduction: An Application to Multiphase Reactor Simulation MFiX-Exa for In-Situ Use Case.” Computing in Science & Engineering 23 (1): 75–82. https://doi.org/10.1109/mcse.2020.3016927.

Biswas, Ayan, Soumya Dutta, Earl Lawrence, John Patchett, Jon C. Calhoun, and James Ahrens. 2021. “Probabilistic Data-Driven Sampling via Multi-Criteria Importance Analysis.” IEEE Transactions on Visualization and Computer Graphics 27 (12): 4439–54. https://doi.org/10.1109/tvcg.2020.3006426.

Anderson, Robert, Julian Andrej, Andrew Barker, Jamie Bramwell, Jean-Sylvain Camier, Jakub Cerveny, Veselin Dobrev, et al. 2021. “MFEM: A Modular Finite Element Methods Library.” Computers & Mathematics with Applications 81 (January): 42–74. https://doi.org/10.1016/j.camwa.2020.06.009.

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Chalmers, Noel, and T. Warburton. 2018. “Low-Order Preconditioning of High-Order Triangular Finite Elements.” SIAM Journal on Scientific Computing 40 (6): A4040–A4059. https://doi.org/10.1137/17m1149444.

Świrydowicz, Kasia, Noel Chalmers, Ali Karakus, and Tim Warburton. 2019. “Acceleration of Tensor-Product Operations for High-Order Finite Element Methods.” The International Journal of High Performance Computing Applications 33 (4): 735–57. https://doi.org/10.1177/1094342018816368.

Karakus, A., N. Chalmers, J.S. Hesthaven, and T. Warburton. 2019. “Discontinuous Galerkin Discretizations of the Boltzmann–BGK Equations for Nearly Incompressible Flows: Semi-Analytic Time Stepping and Absorbing Boundary Layers.” Journal of Computational Physics 390 (August): 175–202. https://doi.org/10.1016/j.jcp.2019.03.050.

Karakus, A., N. Chalmers, K. Świrydowicz, and T. Warburton. 2019. “A GPU Accelerated Discontinuous Galerkin Incompressible Flow Solver.” Journal of Computational Physics 390 (August): 380–404. https://doi.org/10.1016/j.jcp.2019.04.010.

Azad, Ariful, Aydin Buluç, Xiaoye S. Li, Xinliang Wang, and Johannes Langguth. 2020. “A Distributed-Memory Algorithm for Computing a Heavy-Weight Perfect Matching on Bipartite Graphs.” SIAM Journal on Scientific Computing 42 (4): C143–C168. https://doi.org/10.1137/18m1189348.

Jung, Chulwoo, and Yong-Chull Jang. 2019. “Split Grid and Block Lanczos Algorithm for Efficient Eigenpair Generation.” Proceedings of The 36th Annual International Symposium on Lattice Field Theory — PoS(LATTICE2018), May. https://doi.org/10.22323/1.334.0309.

Zhao, Yidi. 2019. “Numerical Implementation of Gauge-Fixed FourierAcceleration.” Proceedings of The 36th Annual International Symposium on Lattice Field Theory — PoS(LATTICE2018), May. https://doi.org/10.22323/1.334.0026.

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Ayala, Alan, Stanimire Tomov, Azzam Haidar, and Jack Dongarra. 2020. “heFFTe: Highly Efficient FFT for Exascale.” Computational Science – ICCS 2020, 262–75. https://doi.org/10.1007/978-3-030-50371-0_19.

Kale, Vivek, Christian Iwainsky, Michael Klemm, Jonas H. Müller Korndörfer, and Florina M. Ciorba. 2019. “Toward a Standard Interface for User-Defined Scheduling in OpenMP.” Lecture Notes in Computer Science, 186–200. https://doi.org/10.1007/978-3-030-28596-8_13.

DeFreez, Daniel, Antara Bhowmick, Ignacio Laguna, and Cindy Rubio-González. 2020. “Detecting and Reproducing Error-Code Propagation Bugs in MPI Implementations.” Proceedings of the 25th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, February. https://doi.org/10.1145/3332466.3374515.

Laguna, Ignacio, Ryan Marshall, Kathryn Mohror, Martin Ruefenacht, Anthony Skjellum, and Nawrin Sultana. 2019. “A Large-Scale Study of MPI Usage in Open-Source HPC Applications.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356176.

Losada, Nuria, Aurelien Bouteiller, and George Bosilca. 2019. “Asynchronous Receiver-Driven Replay for Local Rollback of MPI Applications.” 2019 IEEE/ACM 9th Workshop on Fault Tolerance for HPC at eXtreme Scale (FTXS), November. https://doi.org/10.1109/ftxs49593.2019.00006.

Georgakoudis, Giorgis, Luanzheng Guo, and Ignacio Laguna. 2020. “Reinit$$^{++}$$: Evaluating the Performance of Global-Restart Recovery Methods for MPI Fault Tolerance.” High Performance Computing, 536–54. https://doi.org/10.1007/978-3-030-50743-5_27.

Skjellum, Anthony, Martin Rüfenacht, Nawrin Sultana, Derek Schafer, Ignacio Laguna, and Kathryn Mohror. 2020. “ExaMPI: A Modern Design and Implementation to Accelerate Message Passing Interface Innovation.” High Performance Computing, 153–69. https://doi.org/10.1007/978-3-030-41005-6_11.

Zhong, Dong, Aurelien Bouteiller, Xi Luo, and George Bosilca. 2019. “Runtime Level Failure Detection and Propagation in HPC Systems.” Proceedings of the 26th European MPI Users’ Group Meeting on - EuroMPI ’19. https://doi.org/10.1145/3343211.3343225.

Schuchart, Joseph, Aurelien Bouteiller, and George Bosilca. 2019. “Using MPI-3 RMA for Active Messages.” 2019 IEEE/ACM Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi49596.2019.00011.

Ayala, Alan, Stanimire Tomov, Xi Luo, Hejer Shaeik, Azzam Haidar, George Bosilca, and Jack Dongarra. 2019. “Impacts of Multi-GPU MPI Collective Communications on Large FFT Computation.” 2019 IEEE/ACM Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi49596.2019.00007.

Patinyasakdikul, Thananon, Xi Luo, David Eberius, and George Bosilca. 2019. “Multirate: A Flexible MPI Benchmark for Fast Assessment of Multithreaded Communication Performance.” 2019 IEEE/ACM Workshop on Exascale MPI (ExaMPI), November. https://doi.org/10.1109/exampi49596.2019.00006.

Patinyasakdikul, Thananon, David Eberius, George Bosilca, and Nathan Hjelm. 2019. “Give MPI Threading a Fair Chance: A Study of Multithreaded MPI Designs.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891015.

Hjelm, Nathan, Howard Pritchard, Samuel K. Gutierrez, Daniel J. Holmes, Ralph Castain, and Anthony Skjellum. 2019. “MPI Sessions: Evaluation of an Implementation in Open MPI.” 2019 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2019.8891002.

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Sultana, Nawrin, Martin Rüfenacht, Anthony Skjellum, Ignacio Laguna, and Kathryn Mohror. 2019. “Failure Recovery for Bulk Synchronous Applications with MPI Stages.” Parallel Computing 84 (May): 1–14. https://doi.org/10.1016/j.parco.2019.02.007.

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Mewes, Vassilios, Yosef Zlochower, Manuela Campanelli, Thomas W. Baumgarte, Zachariah B. Etienne, Federico G. Lopez Armengol, and Federico Cipolletta. 2020. “Numerical Relativity in Spherical Coordinates: A New Dynamical Spacetime and General Relativistic MHD Evolution Framework for the Einstein Toolkit.” Physical Review D 101 (10). https://doi.org/10.1103/physrevd.101.104007.

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Mutlu, Erdal, Karol Kowalski, and Sriram Krishnamoorthy. 2019. “Toward Generalized Tensor Algebra for Ab Initio Quantum Chemistry Methods.” Proceedings of the 6th ACM SIGPLAN International Workshop on Libraries, Languages and Compilers for Array Programming, June. https://doi.org/10.1145/3315454.3329958.

Mubarak, Misbah, Neil McGlohon, Malek Musleh, Eric Borch, Robert B. Ross, Ram Huggahalli, Sudheer Chunduri, Scott Parker, Christopher D. Carothers, and Kalyan Kumaran. 2019. “Evaluating Quality of Service Traffic Classes on the Megafly Network.” High Performance Computing, 3–20. https://doi.org/10.1007/978-3-030-20656-7_1.

McGlohon, Neil, Robert B. Ross, and Christopher D. Carothers. 2020. “Evaluation of Link Failure Resilience in Multirail Dragonfly-Class Networks through Simulation.” Proceedings of the 2020 ACM SIGSIM Conference on Principles of Advanced Discrete Simulation, June. https://doi.org/10.1145/3384441.3395989.

Dasgupta, Medhanjali, Dominik Budday, Saulo H. P. de Oliveira, Peter Madzelan, Darya Marchany-Rivera, Javier Seravalli, Brandon Hayes, et al. 2019. “Mix-and-Inject XFEL Crystallography Reveals Gated Conformational Dynamics During Enzyme Catalysis.” Proceedings of the National Academy of Sciences 116 (51): 25634–40. https://doi.org/10.1073/pnas.1901864116.

Woss, Antoni J., David J. Wilson, and Jozef J. Dudek. 2020. “Efficient Solution of the Multichannel Lüscher Determinant Condition through Eigenvalue Decomposition.” Physical Review D 101 (11). https://doi.org/10.1103/physrevd.101.114505.

Wilson, David J., Raúl A. Briceño, Jozef J. Dudek, Robert G. Edwards, and Christopher E. Thomas. 2019. “Quark-Mass Dependence of Elastic πK Scattering from QCD.” Physical Review Letters 123 (4). https://doi.org/10.1103/physrevlett.123.042002.

Woss, Antoni J., Christopher E. Thomas, Jozef J. Dudek, Robert G. Edwards, and David J. Wilson. 2019. “B1 Resonance in Coupled Πω , Πϕ Scattering from Lattice QCD.” Physical Review D 100 (5). https://doi.org/10.1103/physrevd.100.054506.

Butko, Anastasiia, Albert Chen, David Donofrio, Farzad Fatollahi-Fard, and John Shalf. 2018. “Open2C.” Proceedings of the International Symposium on Memory Systems, October. https://doi.org/10.1145/3240302.3270314.

Barra, Valeria, Jed Brown, Jeremy Thompson, and Yohann Dudouit. 2020. “High-Performance Operator Evaluations with Ease of Use: libCEED’s Python Interface.” Proceedings of the 19th Python in Science Conference. https://doi.org/10.25080/majora-342d178e-00c.

Garcia-Cardona, Cristina, Ramakrishnan Kannan, Travis Johnston, Thomas Proffen, Katharine Page, and Sudip K. Seal. 2019. “Learning to Predict Material Structure from Neutron Scattering Data.” 2019 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata47090.2019.9005968.

Pei, Yu, Qinglei Cao, George Bosilca, Piotr Luszczek, Victor Eijkhout, and Jack Dongarra. 2020. “Communication Avoiding 2D Stencil Implementations over PaRSEC Task-Based Runtime.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00127.

Cao, Qinglei, Yu Pei, Kadir Akbudak, Aleksandr Mikhalev, George Bosilca, Hatem Ltaief, David Keyes, and Jack Dongarra. 2020. “Extreme-Scale Task-Based Cholesky Factorization Toward Climate and Weather Prediction Applications.” Proceedings of the Platform for Advanced Scientific Computing Conference, June. https://doi.org/10.1145/3394277.3401846.

Herault, Thomas, Yves Robert, George Bosilca, and Jack Dongarra. 2019. “Generic Matrix Multiplication for Multi-GPU Accelerated Distributed-Memory Platforms over PaRSEC.” 2019 IEEE/ACM 10th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), November. https://doi.org/10.1109/scala49573.2019.00010.

Kruse, Michael, and Hal Finkel. 2018. “A Proposal for Loop-Transformation Pragmas.” Lecture Notes in Computer Science, 37–52. https://doi.org/10.1007/978-3-319-98521-3_3.

Doerfert, Johannes, and Hal Finkel. 2018. “Compiler Optimizations for OpenMP.” Lecture Notes in Computer Science, 113–27. https://doi.org/10.1007/978-3-319-98521-3_8.

Chien, Steven, Ivy Peng, and Stefano Markidis. 2019. “Performance Evaluation of Advanced Features in CUDA Unified Memory.” 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC), November. https://doi.org/10.1109/mchpc49590.2019.00014.

Peng, Ivy B., and Jeffrey S. Vetter. 2018. “Siena: Exploring the Design Space of Heterogeneous Memory Systems.” SC18: International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1109/sc.2018.00036.

Peng, Ivy B., Maya B. Gokhale, and Eric W. Green. 2019. “System Evaluation of the Intel Optane Byte-Addressable NVM.” Proceedings of the International Symposium on Memory Systems, September. https://doi.org/10.1145/3357526.3357568.

Wu, Kai, Ivy Peng, Jie Ren, and Dong Li. 2020. “Ribbon.” Proceedings of the ACM International Conference on Parallel Architectures and Compilation Techniques, September. https://doi.org/10.1145/3410463.3414625.

Chen, Yu, Ivy B. Peng, Zhen Peng, Xu Liu, and Bin Ren. 2020. “ATMem: Adaptive Data Placement in Graph Applications on Heterogeneous Memories.” Proceedings of the 18th ACM/IEEE International Symposium on Code Generation and Optimization, February. https://doi.org/10.1145/3368826.3377922.

Peng, Ivy, Kai Wu, Jie Ren, Dong Li, and Maya Gokhale. 2020. “Demystifying the Performance of HPC Scientific Applications on NVM-Based Memory Systems.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00098.

Bak, Seonmyeong, Yanfei Guo, Pavan Balaji, and Vivek Sarkar. 2019. “Optimized Execution of Parallel Loops via User-Defined Scheduling Policies.” Proceedings of the 48th International Conference on Parallel Processing, August. https://doi.org/10.1145/3337821.3337913.

Diaz, Jose Monsalve, Swaroop Pophale, Oscar Hernandez, David E. Bernholdt, and Sunita Chandrasekaran. 2018. “OpenMP 4.5 Validation and Verification Suite for Device Offload.” Lecture Notes in Computer Science, 82–95. https://doi.org/10.1007/978-3-319-98521-3_6.

Mishra, Alok, Lingda Li, Martin Kong, Hal Finkel, and Barbara Chapman. 2017. “Benchmarking and Evaluating Unified Memory for OpenMP GPU Offloading.” Proceedings of the Fourth Workshop on the LLVM Compiler Infrastructure in HPC, November. https://doi.org/10.1145/3148173.3148184.

Li, Lingda, Hal Finkel, Martin Kong, and Barbara Chapman. 2018. “Manage OpenMP GPU Data Environment Under Unified Address Space.” Lecture Notes in Computer Science, 69–81. https://doi.org/10.1007/978-3-319-98521-3_5.

Doerfert, Johannes, and Hal Finkel. 2019. “Compiler Optimizations for Parallel Programs.” Lecture Notes in Computer Science, 112–19. https://doi.org/10.1007/978-3-030-34627-0_9.

Diaz, Jose Monsalve, Swaroop Pophale, Kyle Friedline, Oscar Hernandez, David E. Bernholdt, and Sunita Chandrasekaran. 2018. “Evaluating Support for OpenMP Offload Features.” Proceedings of the 47th International Conference on Parallel Processing Companion, August. https://doi.org/10.1145/3229710.3229717.

Li, Lingda, and Barbara Chapman. 2019. “Compiler Assisted Hybrid Implicit and Explicit GPU Memory Management Under Unified Address Space.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356141.

Yang, L., and B. D. Wirth. 2020. “First-Principles Study of Hydrogen Behavior Near W/WC Interfaces.” Journal of Applied Physics 127 (11): 115107. https://doi.org/10.1063/1.5141761.

Yang, L., and B.D. Wirth. 2020. “Carbon Clustering and Effect on Hydrogen Trapping in Tungsten: A First-Principles Study.” Computational Materials Science 184 (November): 109932. https://doi.org/10.1016/j.commatsci.2020.109932.

Zamora, R. J., D. Perez, E. Martinez, B. P. Uberuaga, and A. F. Voter. 2019. “Accelerated Molecular Dynamics Methods in a Massively Parallel World.” Handbook of Materials Modeling, October, 1–28. https://doi.org/10.1007/978-3-319-42913-7_25-2.

Garmon, Andrew, and Danny Perez. 2020. “Exploiting Model Uncertainty to Improve the Scalability of Long-Time Simulations Using Parallel Trajectory Splicing.” Modelling and Simulation in Materials Science and Engineering 28 (6): 065015. https://doi.org/10.1088/1361-651x/aba511.

Eisty, Nasir U., Danny Perez, Jeffrey C. Carver, J. David Moulton, and Hai Ah Nam. 2020. “Testing Research Software: A Case Study.” Computational Science – ICCS 2020, 457–63. https://doi.org/10.1007/978-3-030-50436-6_33.

Plimpton, Steven J., Danny Perez, and Arthur F. Voter. 2020. “Parallel Algorithms for Hyperdynamics and Local Hyperdynamics.” The Journal of Chemical Physics 153 (5): 054116. https://doi.org/10.1063/5.0014448.

Vay, J.-L., A. Almgren, J. Bell, L. Ge, D.P. Grote, M. Hogan, O. Kononenko, et al. 2018. “Warp-X: A New Exascale Computing Platform for Beam–plasma Simulations.” Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 909 (November): 476–79. https://doi.org/10.1016/j.nima.2018.01.035.

Vay, J.-L., A. Almgren, J. Bell, R. Lehe, A. Myers, J. Park, O. Shapoval, et al. 2018. “Toward Plasma Wakefield Simulations at Exascale.” 2018 IEEE Advanced Accelerator Concepts Workshop (AAC), August. https://doi.org/10.1109/aac.2018.8659392.

Kirchen, Manuel, Remi Lehe, Soeren Jalas, Olga Shapoval, Jean-Luc Vay, and Andreas R. Maier. 2020. “Scalable Spectral Solver in Galilean Coordinates for Eliminating the Numerical Cherenkov Instability in Particle-in-Cell Simulations of Streaming Plasmas.” Physical Review E 102 (1). https://doi.org/10.1103/physreve.102.013202.

Hargrove, Paul H., and Dan Bonachea. 2018. “GASNet-EX Performance Improvements Due to Specialization for the Cray Aries Network.” 2018 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM), November. https://doi.org/10.1109/paw-atm.2018.00008.

Anzt, Hartwig, Tobias Ribizel, Goran Flegar, Edmond Chow, and Jack Dongarra. 2019. “ParILUT - A Parallel Threshold ILU for GPUs.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00033.

Anzt, Hartwig, Erik Boman, Rob Falgout, Pieter Ghysels, Michael Heroux, Xiaoye Li, Lois Curfman McInnes, et al. 2020. “Preparing Sparse Solvers for Exascale Computing.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190053. https://doi.org/10.1098/rsta.2019.0053.

Tsai, Yuhsiang M., Terry Cojean, and Hartwig Anzt. 2020. “Sparse Linear Algebra on AMD and NVIDIA GPUs – The Race Is On.” High Performance Computing, 309–27. https://doi.org/10.1007/978-3-030-50743-5_16.

Scogland, Thomas R. W., Dan Sunderland, Stephen L. Olivier, David S. Hollman, Noah Evans, and Bronis R. de Supinski. 2019. “Making OpenMP Ready for C++ Executors.” Lecture Notes in Computer Science, 320–32. https://doi.org/10.1007/978-3-030-28596-8_22.

Sreenivasan, Vinu, Rajath Javali, Mary Hall, Prasanna Balaprakash, Thomas R. W. Scogland, and Bronis R. de Supinski. 2019. “A Framework for Enabling OpenMP Autotuning.” Lecture Notes in Computer Science, 50–60. https://doi.org/10.1007/978-3-030-28596-8_4.

Doerfert, Johannes, Jose Manuel Monsalve Diaz, and Hal Finkel. 2019. “The TRegion Interface and Compiler Optimizations for OpenMP Target Regions.” Lecture Notes in Computer Science, 153–67. https://doi.org/10.1007/978-3-030-28596-8_11.

Kruse, Michael, and Hal Finkel. 2019. “Design and Use of Loop-Transformation Pragmas.” Lecture Notes in Computer Science, 125–39. https://doi.org/10.1007/978-3-030-28596-8_9.

Iwasaki, Shintaro, Abdelhalim Amer, Kenjiro Taura, Sangmin Seo, and Pavan Balaji. 2019. “BOLT: Optimizing OpenMP Parallel Regions with User-Level Threads.” 2019 28th International Conference on Parallel Architectures and Compilation Techniques (PACT), September. https://doi.org/10.1109/pact.2019.00011.

Li, Jiali, Bogdan Nicolae, Justin Wozniak, and George Bosilca. 2019. “Understanding Scalability and Fine-Grain Parallelism of Synchronous Data Parallel Training.” 2019 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), November. https://doi.org/10.1109/mlhpc49564.2019.00006.

Tseng, Shu-Mei, Bogdan Nicolae, George Bosilca, Emmanuel Jeannot, Aparna Chandramowlishwaran, and Franck Cappello. 2019. “Towards Portable Online Prediction of Network Utilization Using MPI-Level Monitoring.” Euro-Par 2019: Parallel Processing, 47–60. https://doi.org/10.1007/978-3-030-29400-7_4.

Nicolae, Bogdan, Adam Moody, Elsa Gonsiorowski, Kathryn Mohror, and Franck Cappello. 2019. “VeloC: Towards High Performance Adaptive Asynchronous Checkpointing at Large Scale.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00099.

Dey, Tonmoy, Kento Sato, Bogdan Nicolae, Jian Guo, Jens Domke, Weikuan Yu, Franck Cappello, and Kathryn Mohror. 2020. “Optimizing Asynchronous Multi-Level Checkpoint/Restart Configurations with Machine Learning.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00174.

Kang, Qiao, Sunwoo Lee, Kaiyuan Hou, Robert Ross, Ankit Agrawal, Alok Choudhary, and Wei-keng Liao. 2020. “Improving MPI Collective I/O for High Volume Non-Contiguous Requests With Intra-Node Aggregation.” IEEE Transactions on Parallel and Distributed Systems 31 (11): 2682–95. https://doi.org/10.1109/tpds.2020.3000458.

Jia, Zhihao, Oded Padon, James Thomas, Todd Warszawski, Matei Zaharia, and Alex Aiken. 2019. “TASO.” Proceedings of the 27th ACM Symposium on Operating Systems Principles, October. https://doi.org/10.1145/3341301.3359630.

Childs, Hank, Janine Bennett, Christoph Garth, Bernd Hentschel, and Theresa-Marie Rhyne. 2019. “In Situ Visualization for Computational Science.” IEEE Computer Graphics and Applications 39 (6): 76–85. https://doi.org/10.1109/mcg.2019.2936674.

Wozniak, Justin M., Matthieu Dorier, Robert Ross, Tong Shu, Tahsin Kurc, Li Tang, Norbert Podhorszki, and Matthew Wolf. 2019. “MPI Jobs Within MPI Jobs: A Practical Way of Enabling Task-Level Fault-Tolerance in HPC Workflows.” Future Generation Computer Systems 101 (December): 576–89. https://doi.org/10.1016/j.future.2019.05.020.

Byna, Suren, M. Scot Breitenfeld, Bin Dong, Quincey Koziol, Elena Pourmal, Dana Robinson, Jerome Soumagne, Houjun Tang, Venkatram Vishwanath, and Richard Warren. 2020. “ExaHDF5: Delivering Efficient Parallel I/O on Exascale Computing Systems.” Journal of Computer Science and Technology 35 (1): 145–60. https://doi.org/10.1007/s11390-020-9822-9.

Ross, Robert B., George Amvrosiadis, Philip Carns, Charles D. Cranor, Matthieu Dorier, Kevin Harms, Greg Ganger, et al. 2020. “Mochi: Composing Data Services for High-Performance Computing Environments.” Journal of Computer Science and Technology 35 (1): 121–44. https://doi.org/10.1007/s11390-020-9802-0.

Jain, Rajeev, Xuan Luo, Gökhan Sever, Tianzhen Hong, and Charlie Catlett. 2018. “Representation and Evolution of Urban Weather Boundary Conditions in Downtown Chicago.” Journal of Building Performance Simulation 13 (2): 182–94. https://doi.org/10.1080/19401493.2018.1534275.

Li, Ang, Shuaiwen Leon Song, Jieyang Chen, Jiajia Li, Xu Liu, Nathan R. Tallent, and Kevin J. Barker. 2020. “Evaluating Modern GPU Interconnect: PCIe, NVLink, NV-SLI, NVSwitch and GPUDirect.” IEEE Transactions on Parallel and Distributed Systems 31 (1): 94–110. https://doi.org/10.1109/tpds.2019.2928289.

Grannan, A, K Sood, B Norris, and A Dubey. 2020. “Understanding the Landscape of Scientific Software Used on High-Performance Computing Platforms.” The International Journal of High Performance Computing Applications 34 (4): 465–77. https://doi.org/10.1177/1094342019899451.

Harper, Sterling M., Paul K. Romano, Benoit Forget, and Kord S. Smith. 2020. “Threadsafe Dynamic Neighbor Lists for Monte Carlo Ray Tracing.” Nuclear Science and Engineering 194 (11): 1009–15. https://doi.org/10.1080/00295639.2020.1719765.

Yelick, Katherine, Aydın Buluç, Muaaz Awan, Ariful Azad, Benjamin Brock, Rob Egan, Saliya Ekanayake, et al. 2020. “The Parallelism Motifs of Genomic Data Analysis.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190394. https://doi.org/10.1098/rsta.2019.0394.

Alexander, Francis, Ann Almgren, John Bell, Amitava Bhattacharjee, Jacqueline Chen, Phil Colella, David Daniel, et al. 2020. “Exascale Applications: Skin in the Game.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190056. https://doi.org/10.1098/rsta.2019.0056.

Sabau, Adrian S., Lang Yuan, Narendran Raghavan, Matthew Bement, Srdjan Simunovic, John A. Turner, and Vipul K. Gupta. 2020. “Fluid Dynamics Effects on Microstructure Prediction in Single-Laser Tracks for Additive Manufacturing of IN625.” Metallurgical and Materials Transactions B 51 (3): 1263–81. https://doi.org/10.1007/s11663-020-01808-w.

Hourahine, B., B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, et al. 2020. “DFTB+, a Software Package for Efficient Approximate Density Functional Theory Based Atomistic Simulations.” The Journal of Chemical Physics 152 (12): 124101. https://doi.org/10.1063/1.5143190.

Young, M. Todd, Jacob D. Hinkle, Ramakrishnan Kannan, and Arvind Ramanathan. 2020. “Distributed Bayesian Optimization of Deep Reinforcement Learning Algorithms.” Journal of Parallel and Distributed Computing 139 (May): 43–52. https://doi.org/10.1016/j.jpdc.2019.07.008.

Losada, Nuria, Patricia González, María J. Martín, George Bosilca, Aurélien Bouteiller, and Keita Teranishi. 2020. “Fault Tolerance of MPI Applications in Exascale Systems: The ULFM Solution.” Future Generation Computer Systems 106 (May): 467–81. https://doi.org/10.1016/j.future.2020.01.026.

Rio, Adrian del, Nicolas Sanchis-Gual, Vassilios Mewes, Ivan Agullo, José A. Font, and Jose Navarro-Salas. 2020. “Spontaneous Creation of Circularly Polarized Photons in Chiral Astrophysical Systems.” Physical Review Letters 124 (21). https://doi.org/10.1103/physrevlett.124.211301.

Iwasaki, Shintaro, Abdelhalim Amer, Kenjiro Taura, and Pavan Balaji. 2020. “Analyzing the Performance Trade-Off in Implementing User-Level Threads.” IEEE Transactions on Parallel and Distributed Systems 31 (8): 1859–77. https://doi.org/10.1109/tpds.2020.2976057.

Kumar, Shikhar, Benoit Forget, and Kord Smith. 2020. “Stationarity Diagnostics Using Functional Expansion Tallies.” Annals of Nuclear Energy 143 (August): 107388. https://doi.org/10.1016/j.anucene.2020.107388.

Zhang, Yongzhe, Ariful Azad, and Aydın Buluç. 2020. “Parallel Algorithms for Finding Connected Components Using Linear Algebra.” Journal of Parallel and Distributed Computing 144 (October): 14–27. https://doi.org/10.1016/j.jpdc.2020.04.009.

Anzt, Hartwig, Erik Boman, Rob Falgout, Pieter Ghysels, Michael Heroux, Xiaoye Li, Lois Curfman McInnes, et al. 2020. “Preparing Sparse Solvers for Exascale Computing.” Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2166): 20190053. https://doi.org/10.1098/rsta.2019.0053.

Dobrian, Florin, Mahantesh Halappanavar, Alex Pothen, and Ahmed Al-Herz. 2019. “A 2/3-Approximation Algorithm for Vertex Weighted Matching in Bipartite Graphs.” SIAM Journal on Scientific Computing 41 (1): A566–A591. https://doi.org/10.1137/17m1140029.

Pothen, Alex, S. M. Ferdous, and Fredrik Manne. 2019. “Approximation Algorithms in Combinatorial Scientific Computing.” Acta Numerica 28 (May): 541–633. https://doi.org/10.1017/s0962492919000035.

Acer, Seher, Erik G. Boman, and Sivasankaran Rajamanickam. 2020. “SPHYNX: Spectral Partitioning for HYbrid aNd aXelerator-Enabled Systems.” 2020 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), May. https://doi.org/10.1109/ipdpsw50202.2020.00082.

Mittal, Ketan, and Paul Fischer. 2018. “Mesh Smoothing for the Spectral Element Method.” Journal of Scientific Computing 78 (2): 1152–73. https://doi.org/10.1007/s10915-018-0812-9.

Mittal, Ketan, Som Dutta, and Paul Fischer. 2019. “Nonconforming Schwarz-Spectral Element Methods for Incompressible Flow.” Computers & Fluids 191 (September): 104237. https://doi.org/10.1016/j.compfluid.2019.104237.

Lu, Li, Murtazo Nazarov, and Paul Fischer. 2019. “Nonlinear Artificial Viscosity for Spectral Element Methods.” Comptes Rendus Mathematique 357 (7): 646–54. https://doi.org/10.1016/j.crma.2019.07.006.

Otero, Evelyn, Jing Gong, Misun Min, Paul Fischer, Philipp Schlatter, and Erwin Laure. 2019. “OpenACC Acceleration for the PN–PN-2 Algorithm in Nek5000.” Journal of Parallel and Distributed Computing 132 (October): 69–78. https://doi.org/10.1016/j.jpdc.2019.05.010.

Dobrev, Veselin, Patrick Knupp, Tzanio Kolev, and Vladimir Tomov. 2019. “Towards Simulation-Driven Optimization of High-Order Meshes by the Target-Matrix Optimization Paradigm.” 27th International Meshing Roundtable, 285–302. https://doi.org/10.1007/978-3-030-13992-6_16.

Abdelfattah, Ahmad, Stanimire Tomov, and Jack Dongarra. 2019. “Fast Batched Matrix Multiplication for Small Sizes Using Half-Precision Arithmetic on GPUs.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00022.

Bello-Maldonado, Pedro D., and Paul F. Fischer. 2019. “Scalable Low-Order Finite Element Preconditioners for High-Order Spectral Element Poisson Solvers.” SIAM Journal on Scientific Computing 41 (5): S2–S18. https://doi.org/10.1137/18m1194997.

Merzari, Elia, Paul Fischer, Misun Min, Stefan Kerkemeier, Aleksandr Obabko, Dillon Shaver, Haomin Yuan, et al. 2020. “Toward Exascale: Overview of Large Eddy Simulations and Direct Numerical Simulations of Nuclear Reactor Flows with the Spectral Element Method in Nek5000.” Nuclear Technology 206 (9): 1308–24. https://doi.org/10.1080/00295450.2020.1748557.

Hajduk, Hennes, Dmitri Kuzmin, Tzanio Kolev, Vladimir Tomov, Ignacio Tomas, and John N. Shadid. 2020. “Matrix-Free Subcell Residual Distribution for Bernstein Finite Elements: Monolithic Limiting.” Computers & Fluids 200 (March): 104451. https://doi.org/10.1016/j.compfluid.2020.104451.

Dobrev, Veselin, Patrick Knupp, Tzanio Kolev, Ketan Mittal, Robert Rieben, and Vladimir Tomov. 2020. “Simulation-Driven Optimization of High-Order Meshes in ALE Hydrodynamics.” Computers & Fluids 208 (August): 104602. https://doi.org/10.1016/j.compfluid.2020.104602.

Xie, Cong, Wonyong Jeong, Gyorgy Matyasfalvi, Hubertus Van Dam, Klaus Mueller, Shinjae Yoo, and Wei Xu. 2019. “Exploratory Visual Analysis of Anomalous Runtime Behavior in Streaming High Performance Computing Applications.” Computational Science – ICCS 2019, 153–67. https://doi.org/10.1007/978-3-030-22734-0_12.

Aaziz, Omar, Courtenay Vaughan, Jonathan Cook, Jeanine Cook, Jeffery Kuehn, and David Richards. 2019. “Fine-Grained Analysis of Communication Similarity Between Real and Proxy Applications.” 2019 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs49563.2019.00016.

Ellis, Marquita, Giulia Guidi, Aydın Buluç, Leonid Oliker, and Katherine Yelick. 2019. “diBELLA.” Proceedings of the 48th International Conference on Parallel Processing, August. https://doi.org/10.1145/3337821.3337919.

Zhang, Yongzhe, Ariful Azad, and Zhenjiang Hu. 2020. “FastSV: A Distributed-Memory Connected Component Algorithm with Fast Convergence.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing, January, 46–57. https://doi.org/10.1137/1.9781611976137.5.

Yoon, Hong-Jun, John Gounley, Shang Gao, Mohammed Alawad, Arvind Ramanathan, and Georgia Tourassi. 2019. “Model-Based Hyperparameter Optimization of Convolutional Neural Networks for Information Extraction from Cancer Pathology Reports on HPC.” 2019 IEEE EMBS International Conference on Biomedical & Health Informatics (BHI), May. https://doi.org/10.1109/bhi.2019.8834674.

Sigler, Devon, Jonathan Maack, Ignas Satkauskas, Matthew Reynolds, and Wesley Jones. 2020. “Scalable Transmission Expansion Under Uncertainty Using Three-Stage Stochastic Optimization.” 2020 IEEE Power & Energy Society Innovative Smart Grid Technologies Conference (ISGT), February. https://doi.org/10.1109/isgt45199.2020.9087776.

Rodgers, Arthur J., Arben Pitarka, and David B. McCallen. 2019. “The Effect of Fault Geometry and Minimum Shear Wavespeed on 3D Ground-Motion Simulations for an Mw 6.5 Hayward Fault Scenario Earthquake, San Francisco Bay Area, Northern California.” Bulletin of the Seismological Society of America 109 (4): 1265–81. https://doi.org/10.1785/0120180290.

Thévenet, Maxence, Daniel E. Mittelberger, Kei Nakamura, Rémi Lehe, Carl B. Schroeder, Jean-Luc Vay, Eric Esarey, and Wim P. Leemans. 2019. “Pulse Front Tilt Steering in Laser Plasma Accelerators.” Physical Review Accelerators and Beams 22 (7). https://doi.org/10.1103/physrevaccelbeams.22.071301.

Sturdevant, Benjamin J., Scott E. Parker, C. S. Chang, and Robert Hager. 2020. “Verification of an Improved Equation-Free Projective Integration Method for Neoclassical Plasma-Profile Evolution in Tokamak Geometry.” Physics of Plasmas 27 (3): 032505. https://doi.org/10.1063/1.5141337.

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Homerding, Brian, and John Tramm. 2020. “Evaluating the Performance of the hipSYCL Toolchain for HPC Kernels on NVIDIA V100 GPUs.” Proceedings of the International Workshop on OpenCL, April. https://doi.org/10.1145/3388333.3388660.

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Liu, Yang, Wissam Sid-Lakhdar, Elizaveta Rebrova, Pieter Ghysels, and Xiaoye Sherry Li. 2020. “A Parallel Hierarchical Blocked Adaptive Cross Approximation Algorithm.” The International Journal of High Performance Computing Applications 34 (4): 394–408. https://doi.org/10.1177/1094342020918305.

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Bachan, John, Scott B. Baden, Steven Hofmeyr, Mathias Jacquelin, Amir Kamil, Dan Bonachea, Paul H. Hargrove, and Hadia Ahmed. 2019. “UPC++: A High-Performance Communication Framework for Asynchronous Computation.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2019.00104.

Pei, Yu, George Bosilca, Ichitaro Yamazaki, Akihiro Ida, and Jack Dongarra. 2019. “Evaluation of Programming Models to Address Load Imbalance on Distributed Multi-Core CPUs: A Case Study with Block Low-Rank Factorization.” 2019 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM), November. https://doi.org/10.1109/paw-atm49560.2019.00008.

Cao, Qinglei , Yu Pei, Thomas Herault, Kadir Akbudak, Aleksandr Mikhalev, George Bosilca, Hatem Ltaief, David Keyes, and Jack Dongarra. 2019. “Performance Analysis of Tile Low-Rank Cholesky Factorization Using PaRSEC Instrumentation Tools.” 2019 IEEE/ACM International Workshop on Programming and Performance Visualization Tools (ProTools), November. https://doi.org/10.1109/protools49597.2019.00009.

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Yamazaki, Ichitaro, Stephen Thomas, Mark Hoemmen, Erik G. Boman, Katarzyna Świrydowicz, and James J. Elliott. 2020. “Low-Synchronization Orthogonalization Schemes for s-Step and Pipelined Krylov Solvers in Trilinos.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing, January, 118–28. https://doi.org/10.1137/1.9781611976137.11.

Sauter, Nicholas K., Jan Kern, Junko Yano, and James M. Holton. 2020. “Towards the Spatial Resolution of Metalloprotein Charge States by Detailed Modeling of XFEL Crystallographic Diffraction.” Acta Crystallographica Section D Structural Biology 76 (2): 176–92. https://doi.org/10.1107/s2059798320000418.

Balaprakash, Prasanna, Romain Egele, Misha Salim, Stefan Wild, Venkatram Vishwanath, Fangfang Xia, Tom Brettin, and Rick Stevens. 2019. “Scalable Reinforcement-Learning-Based Neural Architecture Search for Cancer Deep Learning Research.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November. https://doi.org/10.1145/3295500.3356202.

Yoon, Hong-Jun, John Gounley, M. Todd Young, and Georgia Tourassi. 2019. “Information Extraction from Cancer Pathology Reports with Graph Convolution Networks for Natural Language Texts.” 2019 IEEE International Conference on Big Data (Big Data), December. https://doi.org/10.1109/bigdata47090.2019.9006270.

Li, Jiali, Bogdan Nicolae, Justin Wozniak, and George Bosilca. 2019. “Understanding Scalability and Fine-Grain Parallelism of Synchronous Data Parallel Training.” 2019 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), November. https://doi.org/10.1109/mlhpc49564.2019.00006.

Chavez, Gustavo, Yang Liu, Pieter Ghysels, Xiaoye Sherry Li, and Elizaveta Rebrova. 2020. “Scalable and Memory-Efficient Kernel Ridge Regression.” 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps47924.2020.00102.

Zou, Xiangyu, Tao Lu, Wen Xia, Xuan Wang, Weizhe Zhang, Haijun Zhang, Sheng Di, Dingwen Tao, and Franck Cappello. 2020. “Performance Optimization for Relative-Error-Bounded Lossy Compression on Scientific Data.” IEEE Transactions on Parallel and Distributed Systems 31 (7): 1665–80. https://doi.org/10.1109/tpds.2020.2972548.

Zhao, Kai, Sheng Di, Xin Liang, Sihuan Li, Dingwen Tao, Zizhong Chen, and Franck Cappello. 2020. “Significantly Improving Lossy Compression for HPC Datasets with Second-Order Prediction and Parameter Optimization.” Proceedings of the 29th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3369583.3392688.

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Rolchigo, Matthew, Benjamin Stump, James Belak, and Alex Plotkowski. 2020. “Sparse Thermal Data for Cellular Automata Modeling of Grain Structure in Additive Manufacturing.” Modelling and Simulation in Materials Science and Engineering 28 (6): 065003. https://doi.org/10.1088/1361-651x/ab9734.

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Jin, Sian, Sheng Di, Xin Liang, Jiannan Tian, Dingwen Tao, and Franck Cappello. 2019. “DeepSZ.” Proceedings of the 28th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3307681.3326608.

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Tao, Dingwen, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2018. “Improving Performance of Iterative Methods by Lossy Checkponting.” Proceedings of the 27th International Symposium on High-Performance Parallel and Distributed Computing, June. https://doi.org/10.1145/3208040.3208050.

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Tao, Dingwen, Sheng Di, Hanqi Guo, Zizhong Chen, and Franck Cappello. 2017. “Z-Checker: A Framework for Assessing Lossy Compression of Scientific Data.” The International Journal of High Performance Computing Applications 33 (2): 285–303. https://doi.org/10.1177/1094342017737147.

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Cappello, Franck, Sheng Di, Sihuan Li, Xin Liang, Ali Murat Gok, Dingwen Tao, Chun Hong Yoon, Xin-Chuan Wu, Yuri Alexeev, and Frederic T Chong. 2019. “Use Cases of Lossy Compression for Floating-Point Data in Scientific Data Sets.” The International Journal of High Performance Computing Applications 33 (6): 1201–20. https://doi.org/10.1177/1094342019853336.

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Wu, Xingfu, Valerie Taylor, Justin M. Wozniak, Rick Stevens, Thomas Brettin, and Fangfang Xia. 2019. “Performance, Energy, and Scalability Analysis and Improvement of Parallel Cancer Deep Learning CANDLE Benchmarks.” Proceedings of the 48th International Conference on Parallel Processing, August. https://doi.org/10.1145/3337821.3337905.

Rodgers, Arthur J., Arben Pitarka, N. Anders Petersson, Björn Sjögreen, and David B. McCallen. 2018. “Broadband (0–4 Hz) Ground Motions for a Magnitude 7.0 Hayward Fault Earthquake With Three‐Dimensional Structure and Topography.” Geophysical Research Letters 45 (2): 739–47. https://doi.org/10.1002/2017gl076505.

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Ye, Jianchao, Saad A. Khairallah, Alexander M. Rubenchik, Michael F. Crumb, Gabe Guss, Jim Belak, and Manyalibo J. Matthews. 2019. “Energy Coupling Mechanisms and Scaling Behavior Associated with Laser Powder Bed Fusion Additive Manufacturing.” Advanced Engineering Materials 21 (7): 1900185. https://doi.org/10.1002/adem.201900185.

Tao, Dingwen, Sheng Di, Zizhong Chen, and Franck Cappello. 2017. “Significantly Improving Lossy Compression for Scientific Data Sets Based on Multidimensional Prediction and Error-Controlled Quantization.” 2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2017.115.

Diaz, Jose Monsalve, Kyle Friedline, Swaroop Pophale, Oscar Hernandez, David E. Bernholdt, and Sunita Chandrasekaran. 2019. “Analysis of OpenMP 4.5 Offloading in Implementations: Correctness and Overhead.” Parallel Computing 89 (November): 102546. https://doi.org/10.1016/j.parco.2019.102546.

Jocher, Agnes, Nick M. Vandewiele, Kehang Han, Mengjie Liu, Connie W. Gao, Ryan J. Gillis, and William H. Green. 2019. “Scalability Strategies for Automated Reaction Mechanism Generation.” Computers & Chemical Engineering 131 (December): 106578. https://doi.org/10.1016/j.compchemeng.2019.106578.

Hamilton, Steven P., Stuart R. Slattery, and Thomas M. Evans. 2018. “Multigroup Monte Carlo on GPUs: Comparison of History- and Event-Based Algorithms.” Annals of Nuclear Energy 113 (March): 506–18. https://doi.org/10.1016/j.anucene.2017.11.032.

Keçeli, Murat, Sarah N. Elliott, Yi-Pei Li, Matthew S. Johnson, Carlo Cavallotti, Yuri Georgievskii, William H. Green, et al. 2019. “Automated Computational Thermochemistry for Butane Oxidation: A Prelude to Predictive Automated Combustion Kinetics.” Proceedings of the Combustion Institute 37 (1): 363–71. https://doi.org/10.1016/j.proci.2018.07.113.

Shapoval, Olga, Jean-Luc Vay, and Henri Vincenti. 2019. “Two-Step Perfectly Matched Layer for Arbitrary-Order Pseudo-Spectral Analytical Time-Domain Methods.” Computer Physics Communications 235 (February): 102–10. https://doi.org/10.1016/j.cpc.2018.09.015.

Rodgers, Arthur J., N. Anders Petersson, Arben Pitarka, David B. McCallen, Bjorn Sjogreen, and Norman Abrahamson. 2019. “Broadband (0–5 Hz) Fully Deterministic 3D Ground‐Motion Simulations of a Magnitude 7.0 Hayward Fault Earthquake: Comparison with Empirical Ground‐Motion Models and 3D Path and Site Effects from Source Normalized Intensities.” Seismological Research Letters 90 (3): 1268–84. https://doi.org/10.1785/0220180261.

Liang, Xin, Sheng Di, Dingwen Tao, Zizhong Chen, and Franck Cappello. 2018. “An Efficient Transformation Scheme for Lossy Data Compression with Point-Wise Relative Error Bound.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00036.

Gok, Ali Murat, Sheng Di, Yuri Alexeev, Dingwen Tao, Vladimir Mironov, Xin Liang, and Franck Cappello. 2018. “PaSTRI: Error-Bounded Lossy Compression for Two-Electron Integrals in Quantum Chemistry.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00013.

Fang, Yuanwei, Chen Zou, and Andrew A. Chien. 2019. “Accelerating Raw Data Analysis with the ACCORDA Software and Hardware Architecture.” Proceedings of the VLDB Endowment 12 (11): 1568–82. https://doi.org/10.14778/3342263.3342634.

Di, Sheng, Dingwen Tao, Xin Liang, and Franck Cappello. 2019. “Efficient Lossy Compression for Scientific Data Based on Pointwise Relative Error Bound.” IEEE Transactions on Parallel and Distributed Systems 30 (2): 331–45. https://doi.org/10.1109/tpds.2018.2859932.

Di, Sheng, and Franck Cappello. 2018. “Optimization of Error-Bounded Lossy Compression for Hard-to-Compress HPC Data.” IEEE Transactions on Parallel and Distributed Systems 29 (1): 129–43. https://doi.org/10.1109/tpds.2017.2749300.

Ghosh, Sayan, Mahantesh Halappanavar, Antonino Tumeo, Ananth Kalyanaraman, and Assefaw H. Gebremedhin. 2018. “MiniVite: A Graph Analytics Benchmarking Tool for Massively Parallel Systems.” 2018 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs.2018.8641631.

Tao, Dingwen, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2018. “Fixed-PSNR Lossy Compression for Scientific Data.” 2018 IEEE International Conference on Cluster Computing (CLUSTER), September. https://doi.org/10.1109/cluster.2018.00048.

Ghosh, Sayan, Mahantesh Halappanavar, Antonino Tumeo, Ananth Kalyanaraman, Hao Lu, Daniel Chavarria-Miranda, Arif Khan, and Assefaw Gebremedhin. 2018. “Distributed Louvain Algorithm for Graph Community Detection.” 2018 IEEE International Parallel and Distributed Processing Symposium (IPDPS), May. https://doi.org/10.1109/ipdps.2018.00098.

Aaziz, Omar, Jeanine Cook, Jonathan Cook, and Courtenay Vaughan. 2018. “Exploring and Quantifying How Communication Behaviors in Proxies Relate to Real Applications.” 2018 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), November. https://doi.org/10.1109/pmbs.2018.8641569.

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Xie, Cong, Wei Xu, and Klaus Mueller. 2019. “A Visual Analytics Framework for the Detection of Anomalous Call Stack Trees in High Performance Computing Applications.” IEEE Transactions on Visualization and Computer Graphics 25 (1): 215–24. https://doi.org/10.1109/tvcg.2018.2865026.

Biondo, Elliott D., Thomas M. Evans, Gregory G. Davidson, and Steven P. Hamilton. 2020. “Singular Value Decomposition of Adjoint Flux Distributions for Monte Carlo Variance Reduction.” Annals of Nuclear Energy 141 (June): 107327. https://doi.org/10.1016/j.anucene.2020.107327.

Hamilton, Steven P., and Thomas M. Evans. 2019. “Continuous-Energy Monte Carlo Neutron Transport on GPUs in the Shift Code.” Annals of Nuclear Energy 128 (June): 236–47. https://doi.org/10.1016/j.anucene.2019.01.012.

Tao, Dingwen, Sheng Di, Xin Liang, Zizhong Chen, and Franck Cappello. 2019. “Optimizing Lossy Compression Rate-Distortion from Automatic Online Selection Between SZ and ZFP.” IEEE Transactions on Parallel and Distributed Systems 30 (8): 1857–71. https://doi.org/10.1109/tpds.2019.2894404.

Wilke, Jeremiah J., David S. Hollman, Cannada Lewis, Aram Markosyan, and Nicolas Morals. 2018. “Distributed Memory Futures for Compile-Time, Deterministic-by-Default Concurrency in Distributed C++ Applications.” 2018 IEEE/ACM 4th International Workshop on Extreme Scale Programming Models and Middleware (ESPM2), November. https://doi.org/10.1109/espm2.2018.00004.

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Clement, Marjory C., Jinmei Zhang, Cannada A. Lewis, Chao Yang, and Edward F. Valeev. 2018. “Optimized Pair Natural Orbitals for the Coupled Cluster Methods.” Journal of Chemical Theory and Computation 14 (9): 4581–89. https://doi.org/10.1021/acs.jctc.8b00294.

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Jasper, Ahren W., Lawrence B. Harding, Christopher Knight, and Yuri Georgievskii. 2019. “Anharmonic Rovibrational Partition Functions at High Temperatures: Tests of Reduced-Dimensional Models for Systems with up to Three Fluxional Modes.” The Journal of Physical Chemistry A 123 (29): 6210–28. https://doi.org/10.1021/acs.jpca.9b03592.

Messina, Paul. 2017. “The Exascale Computing Project.” Computing in Science & Engineering 19 (3): 63–67. https://doi.org/10.1109/mcse.2017.57.

Peng, Chong, Marjory C. Clement, and Edward F. Valeev. 2018. “State-Averaged Pair Natural Orbitals for Excited States: A Route Toward Efficient Equation of Motion Coupled-Cluster.” Journal of Chemical Theory and Computation 14 (11): 5597–5607. https://doi.org/10.1021/acs.jctc.8b00171.

Kallala, Haithem, Jean-Luc Vay, and Henri Vincenti. 2019. “A Generalized Massively Parallel Ultra-High Order FFT-Based Maxwell Solver.” Computer Physics Communications 244 (November): 25–34. https://doi.org/10.1016/j.cpc.2019.07.009.

Jasper, Ahren W., Zackery B. Gruey, Lawrence B. Harding, Yuri Georgievskii, Stephen J. Klippenstein, and Albert F. Wagner. 2018. “Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals.” The Journal of Physical Chemistry A 122 (6): 1727–40. https://doi.org/10.1021/acs.jpca.7b11722.

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