Publications

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 (June 21). doi:10.1007/s11663-021-02218-2. http://dx.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: 381–393. doi:10.1007/978-3-030-63393-6_25. http://dx.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: 436–450. doi:10.1007/978-3-030-77961-0_36. http://dx.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. doi:10.1016/j.jcp.2020.109356. http://dx.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) (July 24). doi:10.1103/physrevlett.123.042002. http://dx.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) (September 18). doi:10.1103/physrevd.100.054506. http://dx.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) (September 15). doi:10.1103/physrevd.102.054508. http://dx.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) (January 5). doi:10.1103/physrevlett.126.012001. http://dx.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) (March 10). doi:10.1103/physrevd.103.054502. http://dx.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) (February 3). doi:10.1103/physrevd.103.034502. http://dx.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) (February): 603–613. doi:10.1109/tvcg.2020.3030381. http://dx.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) (February): 1312–1321. doi:10.1109/tvcg.2020.3030384. http://dx.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) (May 4): 066017. doi:10.1088/1741-4326/abf81a. http://dx.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 (May 25): 109434202110191. doi:10.1177/10943420211019118. http://dx.doi.org/10.1177/10943420211019118.

Suchyta, Eric, Scott Klasky, Norbert Podhorszki, Matthew Wolf, Abolaji Adesoji, CS Chang, Jong Choi, et al. 2021. “The Exascale Framework for High Fidelity Coupled Simulations (EFFIS): Enabling Whole Device Modeling in Fusion Science.” The International Journal of High Performance Computing Applications (May 24): 109434202110191. doi:10.1177/10943420211019119. http://dx.doi.org/10.1177/10943420211019119.

Suchyta, Eric, Scott Klasky, Norbert Podhorszki, Matthew Wolf, Abolaji Adesoji, CS Chang, Jong Choi, et al. 2021. “The Exascale Framework for High Fidelity Coupled Simulations (EFFIS): Enabling Whole Device Modeling in Fusion Science.” The International Journal of High Performance Computing Applications (May 24): 109434202110191. doi:10.1177/10943420211019119. http://dx.doi.org/10.1177/10943420211019119.

Song, Y., B. Radhakrishnan, S. Gorti, and R. Acharya. 2021. “Precipitate Growth Kinetics Under Inhomogeneous Concentration Fields Using a Phase-Field Model.” Physical Review Materials 5 (5) (May 17). doi:10.1103/physrevmaterials.5.053401. http://dx.doi.org/10.1103/PhysRevMaterials.5.053401.

Mollén, Albert, M. F. Adams, M. G. Knepley, R. Hager, and C. S. Chang. 2021. “Implementation of Higher-Order Velocity Mapping Between Marker Particles and Grid in the Particle-in-Cell Code XGC.” Journal of Plasma Physics 87 (2) (April). doi:10.1017/s0022377821000441. http://dx.doi.org/10.1017/S0022377821000441.

Yang, L., D. Perez, and B.D. Wirth. 2021. “Stability and Mobility of Tungsten Clusters on Tungsten (110) Surface: Ab Initio and Atomistic Simulations.” Surface Science 707 (May): 121806. doi:10.1016/j.susc.2021.121806. http://dx.doi.org/10.1016/j.susc.2021.121806.

Richers, Sherwood, Don E. Willcox, Nicole M. Ford, and Andrew Myers. 2021. “Particle-in-Cell Simulation of the Neutrino Fast Flavor Instability.” Physical Review D 103 (8) (April 20). doi:10.1103/physrevd.103.083013. http://dx.doi.org/10.1103/PhysRevD.103.083013.

Casalino, Lorenzo, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, et al. 2021. “AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.” The International Journal of High Performance Computing Applications (April 20): 109434202110064. doi:10.1177/10943420211006452. http://dx.doi.org/10.1177/10943420211006452.

Musser, Jordan, Ann S Almgren, William D Fullmer, Oscar Antepara, John B Bell, Johannes Blaschke, Kevin Gott, et al. 2021. “MFIX-Exa: A Path Toward Exascale CFD-DEM Simulations.” The International Journal of High Performance Computing Applications (April 16): 109434202110092. doi:10.1177/10943420211009293. http://dx.doi.org/10.1177/10943420211009293.

Cusentino, M.A., M.A. Wood, and A.P. Thompson. 2021. “Beryllium-Driven Structural Evolution at the Divertor Surface.” Nuclear Fusion 61 (4) (March 23): 046049. doi:10.1088/1741-4326/abe7bd. http://dx.doi.org/10.1088/1741-4326/abe7bd.

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) (March 10). doi:10.1103/physrevd.103.054502. http://dx.doi.org/10.1103/PhysRevD.103.054502.

De Angeli, Kevin, Shang Gao, Mohammed Alawad, Hong-Jun Yoon, Noah Schaefferkoetter, Xiao-Cheng Wu, Eric B. Durbin, et al. 2021. “Deep Active Learning for Classifying Cancer Pathology Reports.” BMC Bioinformatics 22 (1) (March 9). doi:10.1186/s12859-021-04047-1. http://dx.doi.org/10.1186/s12859-021-04047-1.

Klion, Hannah, Paul C Duffell, Daniel Kasen, and Eliot Quataert. 2021. “The Effect of Jet–ejecta Interaction on the Viewing Angle Dependence of Kilonova Light Curves.” Monthly Notices of the Royal Astronomical Society 502 (1) (January 9): 865–875. doi:10.1093/mnras/stab042. http://dx.doi.org/10.1093/mnras/stab042.

Shen, Ken J., Stéphane Blondin, Daniel Kasen, Luc Dessart, Dean M. Townsley, Samuel Boos, and D. John Hillier. 2021. “Non-Local Thermodynamic Equilibrium Radiative Transfer Simulations of Sub-Chandrasekhar-Mass White Dwarf Detonations.” The Astrophysical Journal Letters 909 (2) (March 1): L18. doi:10.3847/2041-8213/abe69b. http://dx.doi.org/10.3847/2041-8213/abe69b.

Calvin, Justus A., Chong Peng, Varun Rishi, Ashutosh Kumar, and Edward F. Valeev. 2020. “Many-Body Quantum Chemistry on Massively Parallel Computers.” Chemical Reviews 121 (3) (December 11): 1203–1231. doi:10.1021/acs.chemrev.0c00006. http://dx.doi.org/10.1021/acs.chemrev.0c00006.

Dominski, J., J. Cheng, G. Merlo, V. Carey, R. Hager, L. Ricketson, J. Choi, et al. 2021. “Spatial Coupling of Gyrokinetic Simulations, a Generalized Scheme Based on First-Principles.” Physics of Plasmas 28 (2) (February): 022301. doi:10.1063/5.0027160. http://dx.doi.org/10.1063/5.0027160.

Liu, Yang, Xin Xing, Han Guo, Eric Michielssen, Pieter Ghysels, and Xiaoye Sherry Li. 2021. “Butterfly Factorization Via Randomized Matrix-Vector Multiplications.” SIAM Journal on Scientific Computing 43 (2) (January): A883–A907. doi:10.1137/20m1315853. http://dx.doi.org/10.1137/20M1315853.

Ricketson, L.F., and L. Chacón. 2020. “An Energy-Conserving and Asymptotic-Preserving Charged-Particle Orbit Implicit Time Integrator for Arbitrary Electromagnetic Fields.” Journal of Computational Physics 418 (October): 109639. doi:10.1016/j.jcp.2020.109639. http://dx.doi.org/10.1016/j.jcp.2020.109639.

Tangtartharakul, Kavin, Guangye Chen, and Alexey Arefiev. 2021. “Particle Integrator for Particle-in-Cell Simulations of Ultra-High Intensity Laser-Plasma Interactions.” Journal of Computational Physics 434 (June): 110233. doi:10.1016/j.jcp.2021.110233. http://dx.doi.org/10.1016/j.jcp.2021.110233.

Iwabuchi, Keita, Lance Lebanoff, Maya Gokhale, and Roger Pearce. 2019. “Metall: A Persistent Memory Allocator Enabling Graph Processing.” 2019 IEEE/ACM 9th Workshop on Irregular Applications: Architectures and Algorithms (IA3) (November). doi:10.1109/ia349570.2019.00012. http://dx.doi.org/10.1109/IA349570.2019.00012.

Patil, Onkar, Frank Mueller, Latchesar Ionkov, Jason Lee, and Michael Lang. 2020. “Symbiotic HW Cache and SW DTLB Prefetching for DRAM/NVM Hybrid Memory.” 2020 28th International Symposium on Modeling, Analysis, and Simulation of Computer and Telecommunication Systems (MASCOTS) (November 17). doi:10.1109/mascots50786.2020.9285963. http://dx.doi.org/10.1109/MASCOTS50786.2020.9285963.

Effler, T. Chad, Brandon Kammerdiener, Michael R. Jantz, Saikat Sengupta, Prasad A. Kulkarni, Kshitij A. Doshi, and Terry Jones. 2019. “Evaluating the Effectiveness of Program Data Features for Guiding Memory Management.” Proceedings of the International Symposium on Memory Systems (September 30). doi:10.1145/3357526.3357537. http://dx.doi.org/10.1145/3357526.3357537.

Williams, Sean, Latchesar Ionkov, Michael Lang, and Jason Lee. 2018. “Heterogeneous Memory and Arena-Based Heap Allocation.” Proceedings of the Workshop on Memory Centric High Performance Computing (November 11). doi:10.1145/3286475.3286568. http://dx.doi.org/10.1145/3286475.3286568.

Olson, M. Ben, Brandon Kammerdiener, Michael R. Jantz, Kshitij A. Doshi, and Terry Jones. 2019. “Portable Application Guidance for Complex Memory Systems.” Proceedings of the International Symposium on Memory Systems (September 30). doi:10.1145/3357526.3357575. http://dx.doi.org/10.1145/3357526.3357575.

Effler, T. Chad, Michael R. Jantz, and Terry Jones. 2020. “Performance Potential of Mixed Data Management Modes for Heterogeneous Memory Systems.” 2020 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC) (November). doi:10.1109/mchpc51950.2020.00007. http://dx.doi.org/10.1109/MCHPC51950.2020.00007.

McCallen, David, Floriana Petrone, Mamun Miah, Arben Pitarka, Arthur Rodgers, and Norman Abrahamson. 2020. “EQSIM—A Multidisciplinary Framework for Fault-to-Structure Earthquake Simulations on Exascale Computers, Part II: Regional Simulations of Building Response.” Earthquake Spectra 37 (2) (December 19): 736–761. doi:10.1177/8755293020970980. http://dx.doi.org/10.1177/8755293020970980.

McCallen, David, Anders Petersson, Arthur Rodgers, Arben Pitarka, Mamun Miah, Floriana Petrone, Bjorn Sjogreen, Norman Abrahamson, and Houjun Tang. 2020. “EQSIM—A Multidisciplinary Framework for Fault-to-Structure Earthquake Simulations on Exascale Computers Part I: Computational Models and Workflow.” Earthquake Spectra 37 (2) (December 3): 707–735. doi:10.1177/8755293020970982. http://dx.doi.org/10.1177/8755293020970982.

Kowalski, Karol, Raymond Bair, Nicholas P. Bauman, Jeffery S. Boschen, Eric J. Bylaska, Jeff Daily, Wibe A. de Jong, et al. 2021. “From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.” Chemical Reviews 121 (8) (March 31): 4962–4998. doi:10.1021/acs.chemrev.0c00998. http://dx.doi.org/10.1021/acs.chemrev.0c00998.

Carr, Hamish, Oliver Rubel, Gunther H Weber, and James Ahrens. 2021. “Optimization and Augmentation for Data Parallel Contour Trees.” IEEE Transactions on Visualization and Computer Graphics: 1–1. doi:10.1109/tvcg.2021.3064385. http://dx.doi.org/10.1109/TVCG.2021.3064385.

Hristov, Petar, Gunther H. Weber, Hamish A. Carr, Oliver Rubel, and James P. Ahrens. 2020. “Data Parallel Hypersweeps for in Situ Topological Analysis.” 2020 IEEE 10th Symposium on Large Data Analysis and Visualization (LDAV) (October). doi:10.1109/ldav51489.2020.00008. http://dx.doi.org/10.1109/LDAV51489.2020.00008.

Dutta, Soumya, Terece L. Turton, and James P. Ahrens. 2021. “A Confidence-Guided Technique for Tracking Time-Varying Features.” Computing in Science & Engineering 23 (2) (March 1): 84–92. doi:10.1109/mcse.2020.3047979. http://dx.doi.org/10.1109/MCSE.2020.3047979.

Wu, Hui, Randolph R. Settgast, Pengcheng Fu, and Joseph P. Morris. 2021. “An Enhanced Virtual Crack Closure Technique for Stress Intensity Factor Calculation Along Arbitrary Crack Fronts and the Application in Hydraulic Fracturing Simulation.” Rock Mechanics and Rock Engineering 54 (6) (March 23): 2943–2957. doi:10.1007/s00603-021-02428-9. http://dx.doi.org/10.1007/s00603-021-02428-9.

Abdelfattah, Ahmad, Hartwig Anzt, Erik G Boman, Erin Carson, Terry Cojean, Jack Dongarra, Alyson Fox, et al. 2021. “A Survey of Numerical Linear Algebra Methods Utilizing Mixed-Precision Arithmetic.” The International Journal of High Performance Computing Applications 35 (4) (March 19): 344–369. doi:10.1177/10943420211003313. http://dx.doi.org/10.1177/10943420211003313.

Bylaska, Eric J., Duo Song, Nicholas P. Bauman, Karol Kowalski, Daniel Claudino, and Travis S. Humble. 2021. “Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations.” Frontiers in Chemistry 9 (March 18). doi:10.3389/fchem.2021.603019. http://dx.doi.org/10.3389/fchem.2021.603019.

Świrydowicz, Katarzyna, Julien Langou, Shreyas Ananthan, Ulrike Yang, and Stephen Thomas. 2020. “Low Synchronization Gram–Schmidt and Generalized Minimal Residual Algorithms.” Numerical Linear Algebra with Applications 28 (2) (October 22). Portico. doi:10.1002/nla.2343. http://dx.doi.org/10.1002/nla.2343.

Ricketson, L.F., and L. Chacón. 2020. “An Energy-Conserving and Asymptotic-Preserving Charged-Particle Orbit Implicit Time Integrator for Arbitrary Electromagnetic Fields.” Journal of Computational Physics 418 (October): 109639. doi:10.1016/j.jcp.2020.109639. http://dx.doi.org/10.1016/j.jcp.2020.109639.

Allen-Dumas, Melissa R., Amy N. Rose, Joshua R. New, Olufemi A. Omitaomu, Jiangye Yuan, Marcia L. Branstetter, Linda M. Sylvester, et al. 2020. “Impacts of the Morphology of New Neighborhoods on Microclimate and Building Energy.” Renewable and Sustainable Energy Reviews 133 (November): 110030. doi:10.1016/j.rser.2020.110030. http://dx.doi.org/10.1016/j.rser.2020.110030.

Morgan, Hannah, Patrick Sanan, Matthew Knepley, and Richard Tran Mills. 2020. “Understanding Performance Variability in Standard and Pipelined Parallel Krylov Solvers.” The International Journal of High Performance Computing Applications 35 (1) (October 20): 47–59. doi:10.1177/1094342020966835. http://dx.doi.org/10.1177/1094342020966835.

Yoon, Hong-Jun, Hilda B. Klasky, John P. Gounley, Mohammed Alawad, Shang Gao, Eric B. Durbin, Xiao-Cheng Wu, et al. 2020. “Accelerated Training of Bootstrap Aggregation-Based Deep Information Extraction Systems from Cancer Pathology Reports.” Journal of Biomedical Informatics 110 (October): 103564. doi:10.1016/j.jbi.2020.103564. http://dx.doi.org/10.1016/j.jbi.2020.103564.

Petrone, Floriana, Norman Abrahamson, David McCallen, and Mamun Miah. 2020. “Validation of (not‐historical) Large‐event Near‐fault Ground‐motion Simulations for Use in Civil Engineering Applications.” Earthquake Engineering & Structural Dynamics 50 (1) (October 30): 116–134. Portico. doi:10.1002/eqe.3366. http://dx.doi.org/10.1002/eqe.3366.

Zhao, Y., R. Lehe, A. Myers, M. Thévenet, A. Huebl, C. B. Schroeder, and J.-L. Vay. 2020. “Modeling of Emittance Growth Due to Coulomb Collisions in Plasma-Based Accelerators.” Physics of Plasmas 27 (11) (November): 113105. doi:10.1063/5.0023776. http://dx.doi.org/10.1063/5.0023776.

Mendez, Derek, Robert Bolotovsky, Asmit Bhowmick, Aaron S. Brewster, Jan Kern, Junko Yano, James M. Holton, and Nicholas K. Sauter. 2020. “Beyond Integration: Modeling Every Pixel to Obtain Better Structure Factors from Stills.” IUCrJ 7 (6) (October 24): 1151–1167. doi:10.1107/s2052252520013007. http://dx.doi.org/10.1107/S2052252520013007.

Williams-Young, David B., Paul G. Beckman, and Chao Yang. 2020. “A Shift Selection Strategy for Parallel Shift-Invert Spectrum Slicing in Symmetric Self-Consistent Eigenvalue Computation.” ACM Transactions on Mathematical Software 46 (4) (November 13): 1–31. doi:10.1145/3409571. http://dx.doi.org/10.1145/3409571.

Marin, Oana, Emil Constantinescu, and Barry Smith. 2020. “A Scalable Matrix-Free Spectral Element Approach for Unsteady PDE Constrained Optimization Using PETSc/TAO.” Journal of Computational Science 47 (November): 101207. doi:10.1016/j.jocs.2020.101207. http://dx.doi.org/10.1016/j.jocs.2020.101207.

Ricketson, L., A. Hakim, and J. Hittinger. 2021. “Consistent Coupling Algorithms for Coupled Core-Edge Simulations of Plasma Turbulence.” Physics of Plasmas 28 (1) (January): 012301. doi:10.1063/5.0027670. http://dx.doi.org/10.1063/5.0027670.

Lebrun-Grandié, D., A. Prokopenko, B. Turcksin, and S. R. Slattery. 2021. “ArborX.” ACM Transactions on Mathematical Software 47 (1) (January 6): 1–15. doi:10.1145/3412558. http://dx.doi.org/10.1145/3412558.

Moser, Robert D., Sigfried W. Haering, and Gopal R. Yalla. 2021. “Statistical Properties of Subgrid-Scale Turbulence Models.” Annual Review of Fluid Mechanics 53 (1) (January 5): 255–286. doi:10.1146/annurev-fluid-060420-023735. http://dx.doi.org/10.1146/annurev-fluid-060420-023735.

Silva, Sam J., Susannah M. Burrows, Mathew J. Evans, and Mahantesh Halappanavar. 2021. “A Graph Theoretical Intercomparison of Atmospheric Chemical Mechanisms.” Geophysical Research Letters 48 (1) (January 11). Portico. doi:10.1029/2020gl090481. http://dx.doi.org/10.1029/2020GL090481.

Sharma, Ashesh, Shreyas Ananthan, Jayanarayanan Sitaraman, Stephen Thomas, and Michael A. Sprague. 2021. “Overset Meshes for Incompressible Flows: On Preserving Accuracy of Underlying Discretizations.” Journal of Computational Physics 428 (March): 109987. doi:10.1016/j.jcp.2020.109987. http://dx.doi.org/10.1016/j.jcp.2020.109987.

Bachan, John, Dan Bonachea, Paul H. Hargrove, Steve Hofmeyr, Mathias Jacquelin, Amir Kamil, Brian van Straalen, and Scott B. Baden. 2017. “The UPC++ PGAS Library for Exascale Computing.” Proceedings of the Second Annual PGAS Applications Workshop (November 12). doi:10.1145/3144779.3169108. http://dx.doi.org/10.1145/3144779.3169108.

Glaws, Andrew, Ryan King, and Michael Sprague. 2020. “Deep Learning for in Situ Data Compression of Large Turbulent Flow Simulations.” Physical Review Fluids 5 (11) (November 11). doi:10.1103/physrevfluids.5.114602. http://dx.doi.org/10.1103/PhysRevFluids.5.114602.

Romano, Paul K., Steven P. Hamilton, Ronald O. Rahaman, April Novak, Elia Merzari, Sterling M. Harper, Patrick C. Shriwise, and Thomas M. Evans. 2020. “A Code-Agnostic Driver Application for Coupled Neutronics and Thermal-Hydraulic Simulations.” Nuclear Science and Engineering 195 (4) (November 23): 391–411. doi:10.1080/00295639.2020.1830620. http://dx.doi.org/10.1080/00295639.2020.1830620.

Cusentino, M.A., M.A. Wood, and A.P. Thompson. 2020. “Suppression of Helium Bubble Nucleation in Beryllium Exposed Tungsten Surfaces.” Nuclear Fusion 60 (12) (October 6): 126018. doi:10.1088/1741-4326/abb148. http://dx.doi.org/10.1088/1741-4326/abb148.

Park, J., J. H. Bin, S. Steinke, Q. Ji, S. S. Bulanov, M. Thévenet, J.-L. Vay, et al. 2020. “Target Normal Sheath Acceleration with a Large Laser Focal Diameter.” Physics of Plasmas 27 (12) (December): 123104. doi:10.1063/5.0020609. http://dx.doi.org/10.1063/5.0020609.

Cheng, Junyi, Julien Dominski, Yang Chen, Haotian Chen, Gabriele Merlo, Seung-Hoe Ku, Robert Hager, et al. 2020. “Spatial Core-Edge Coupling of the Particle-in-Cell Gyrokinetic Codes GEM and XGC.” Physics of Plasmas 27 (12) (December): 122510. doi:10.1063/5.0026043. http://dx.doi.org/10.1063/5.0026043.

Barca, Giuseppe M. J., Jorge L. Galvez-Vallejo, David L. Poole, Alistair P. Rendell, and Mark S. Gordon. 2020. “High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm.” Journal of Chemical Theory and Computation 16 (12) (November 18): 7232–7238. doi:10.1021/acs.jctc.0c00768. http://dx.doi.org/10.1021/acs.jctc.0c00768.

Yang, Chao, Jiri Brabec, Libor Veis, David B. Williams-Young, and Karol Kowalski. 2020. “Solving Coupled Cluster Equations by the Newton Krylov Method.” Frontiers in Chemistry 8 (December 10). doi:10.3389/fchem.2020.590184. http://dx.doi.org/10.3389/fchem.2020.590184.

Williams-Young, David B., Wibe A. de Jong, Hubertus J. J. van Dam, and Chao Yang. 2020. “On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.” Frontiers in Chemistry 8 (December 10). doi:10.3389/fchem.2020.581058. http://dx.doi.org/10.3389/fchem.2020.581058.

Romano, Paul K., Colin J. Josey, Andrew E. Johnson, and Jingang Liang. 2021. “Depletion Capabilities in the OpenMC Monte Carlo Particle Transport Code.” Annals of Nuclear Energy 152 (March): 107989. doi:10.1016/j.anucene.2020.107989. http://dx.doi.org/10.1016/j.anucene.2020.107989.

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. doi:10.1016/j.commatsci.2020.110112. http://dx.doi.org/10.1016/j.commatsci.2020.110112.

Kenawy, Maha, David McCallen, and Arben Pitarka. 2021. “Variability of Near‐fault Seismic Risk to Reinforced Concrete Buildings Based on High‐resolution Physics‐based Ground Motion Simulations.” Earthquake Engineering & Structural Dynamics 50 (6) (January 14): 1713–1733. Portico. doi:10.1002/eqe.3413. http://dx.doi.org/10.1002/eqe.3413.

Merlo, G., S. Janhunen, F. Jenko, A. Bhattacharjee, C. S. Chang, J. Cheng, P. Davis, et al. 2021. “First Coupled GENE–XGC Microturbulence Simulations.” Physics of Plasmas 28 (1) (January): 012303. doi:10.1063/5.0026661. http://dx.doi.org/10.1063/5.0026661.

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Gordon, Mark S., and Theresa L. Windus. 2020. “Editorial: Modern Architectures and Their Impact on Electronic Structure Theory.” Chemical Reviews 120 (17) (September 9): 9015–9020. doi:10.1021/acs.chemrev.0c00700. http://dx.doi.org/10.1021/acs.chemrev.0c00700.

Robinson, Michael C., and Michael A. Sprague. 2019. “Looking Forward: The Promise and Challenge of Exascale Computing.” Wind Energy Modeling and Simulation - Volume 1: Atmosphere and Plant (November 1): 1–22. doi:10.1049/pbpo125f_ch1. http://dx.doi.org/10.1049/pbpo125f_ch1.

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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) (January 9): 735–757. doi:10.1177/1094342018816368. http://dx.doi.org/10.1177/1094342018816368.

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Domino, Stefan P. 2018. “Design-Order, Non-Conformal Low-Mach Fluid Algorithms Using a Hybrid CVFEM/DG Approach.” Journal of Computational Physics 359 (April): 331–351. doi:10.1016/j.jcp.2018.01.007. http://dx.doi.org/10.1016/j.jcp.2018.01.007.

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Gordon, Mark S., and Theresa L. Windus. 2020. “Editorial: Modern Architectures and Their Impact on Electronic Structure Theory.” Chemical Reviews 120 (17) (September 9): 9015–9020. doi:10.1021/acs.chemrev.0c00700. http://dx.doi.org/10.1021/acs.chemrev.0c00700.

Binyahib, Roba, David Pugmire, Boyana Norris, and Hank Childs. 2019. “A Lifeline-Based Approach for Work Requesting and Parallel Particle Advection.” 2019 IEEE 9th Symposium on Large Data Analysis and Visualization (LDAV) (October). doi:10.1109/ldav48142.2019.8944355. http://dx.doi.org/10.1109/LDAV48142.2019.8944355.

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Peng, Ivy, Marty McFadden, Eric Green, Keita Iwabuchi, Kai Wu, Dong Li, Roger Pearce, and Maya Gokhale. 2019. “UMap: Enabling Application-Driven Optimizations for Page Management.” 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC) (November). doi:10.1109/mchpc49590.2019.00017. http://dx.doi.org/10.1109/MCHPC49590.2019.00017.

Perarnau, Swann, Brice Videau, Nicolas Denoyelle, Florence Monna, Kamil Iskra, and Pete Beckman. 2019. “Explicit Data Layout Management for Autotuning Exploration on Complex Memory Topologies.” 2019 IEEE/ACM Workshop on Memory Centric High Performance Computing (MCHPC) (November). doi:10.1109/mchpc49590.2019.00015. http://dx.doi.org/10.1109/MCHPC49590.2019.00015.

Ramesh, Srinivasan, Swann Perarnau, Sridutt Bhalachandra, Allen D. Malony, and Pete Beckman. 2019. “Understanding the Impact of Dynamic Power Capping on Application Progress.” 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (May). doi:10.1109/ipdps.2019.00088. http://dx.doi.org/10.1109/IPDPS.2019.00088.

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Dreher, Matthieu, Swann Perarnau, Tom Peterka, Kamil Iskra, and Pete Beckman. 2017. “In Situ Workflows at Exascale.” Proceedings of the In Situ Infrastructures on Enabling Extreme-Scale Analysis and Visualization (November 12). doi:10.1145/3144769.3144774. http://dx.doi.org/10.1145/3144769.3144774.

Bernholdt, David E., Swen Boehm, George Bosilca, Manjunath Gorentla Venkata, Ryan E. Grant, Thomas J. Naughton, III, Howard P. Pritchard, Martin Schulz, and Geoffroy R. Vallee. 2018. “A Survey of MPI Usage in the U.S. Exascale Computing Project” (June 1). doi:10.2172/1462877. http://dx.doi.org/10.2172/1462877.

Sultana, Nawrin, Anthony Skjellum, Ignacio Laguna, Matthew Shane Farmer, Kathryn Mohror, and Murali Emani. 2018. “MPI Stages.” Proceedings of the 25th European MPI Users’ Group Meeting (September 23). doi:10.1145/3236367.3236385. http://dx.doi.org/10.1145/3236367.3236385.

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 13). doi:10.1145/3225058.3225130. http://dx.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 13). doi:10.1145/3225058.3225114. http://dx.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). doi:10.1109/ipdpsw.2018.00127. http://dx.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: 480–491. doi:10.1007/978-3-319-96983-1_34. http://dx.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. doi:10.1145/3127024.3127039. http://dx.doi.org/10.1145/3127024.3127039.

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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 12). doi:10.1145/3324989.3325719. http://dx.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) (March 12): e4460. Portico. doi:10.1002/cpe.4460. http://dx.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). doi:10.1109/ipdps.2018.00100. http://dx.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) (May 14): 1265–1281. doi:10.1785/0120180290. http://dx.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. doi:10.1109/mcse.2017.3421558. http://dx.doi.org/10.1109/MCSE.2017.3421558.

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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) (July 8). doi:10.1145/3386569.3392442. http://dx.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. doi:10.1016/j.jpdc.2020.07.001. http://dx.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). doi:10.1109/sc.2018.00062. http://dx.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). doi:10.1109/ipdps.2019.00085. http://dx.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). doi:10.1109/cluster.2019.8890991. http://dx.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). doi:10.1109/hpec.2019.8916299. http://dx.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 11). doi:10.1145/3387902.3392634. http://dx.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) (March): 54–69. doi:10.1007/s40192-020-00172-6. http://dx.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) (August 5): 362–377. doi:10.1007/s40192-019-00148-1. http://dx.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) (July 29): 318–334. doi:10.1007/s40192-019-00149-0. http://dx.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) (June 26): 3640–3655. doi:10.1007/s11837-019-03618-1. http://dx.doi.org/10.1007/s11837-019-03618-1.

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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) (September 27). Portico. doi:10.1002/cpe.4851. http://dx.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). doi:10.1109/hpec.2018.8547576. http://dx.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) (August 24): 33–47. doi:10.1080/00295450.2018.1490124. http://dx.doi.org/10.1080/00295450.2018.1490124.

Raffenetti, Ken, Abdelhalim Amer, Lena Oden, Charles Archer, Wesley Bland, Hajime Fujita, Yanfei Guo, et al. 2017. “Why Is MPI so Slow?” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (November 12). doi:10.1145/3126908.3126963. http://dx.doi.org/10.1145/3126908.3126963.

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). doi:10.1109/espm2.2018.00011. http://dx.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). doi:10.1109/mlhpc.2018.8638629. http://dx.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: 277–293. doi:10.1007/978-3-319-58667-0_15. http://dx.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 26). doi:10.1145/3330345.3330356. http://dx.doi.org/10.1145/3330345.3330356.

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Ayala, Alan, Stanimire Tomov, Azzam Haidar, and Jack Dongarra. 2020. “heFFTe: Highly Efficient FFT for Exascale.” Computational Science – ICCS 2020: 262–275. doi:10.1007/978-3-030-50371-0_19. http://dx.doi.org/10.1007/978-3-030-50371-0_19.

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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 19). doi:10.1145/3332466.3374515. http://dx.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 17). doi:10.1145/3295500.3356176. http://dx.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). doi:10.1109/ftxs49593.2019.00006. http://dx.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: 536–554. doi:10.1007/978-3-030-50743-5_27. http://dx.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: 153–169. doi:10.1007/978-3-030-41005-6_11. http://dx.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. doi:10.1145/3343211.3343225. http://dx.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). doi:10.1109/exampi49596.2019.00011. http://dx.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). doi:10.1109/exampi49596.2019.00007. http://dx.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). doi:10.1109/exampi49596.2019.00006. http://dx.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). doi:10.1109/cluster.2019.8891015. http://dx.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). doi:10.1109/cluster.2019.8891002. http://dx.doi.org/10.1109/CLUSTER.2019.8891002.

Dosanjh, Matthew G. F., Whit Schonbein, Ryan E. Grant, Patrick G. Bridges, S. Mahdieh Gazimirsaeed, and Ahmad Afsahi. 2019. “Fuzzy Matching: Hardware Accelerated MPI Communication Middleware.” 2019 19th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID) (May). doi:10.1109/ccgrid.2019.00035. http://dx.doi.org/10.1109/CCGRID.2019.00035.

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Grant, Ryan E., Matthew G. F. Dosanjh, Michael J. Levenhagen, Ron Brightwell, and Anthony Skjellum. 2019. “Finepoints: Partitioned Multithreaded MPI Communication.” High Performance Computing: 330–350. doi:10.1007/978-3-030-20656-7_17. http://dx.doi.org/10.1007/978-3-030-20656-7_17.

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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) (May 5). doi:10.1103/physrevd.101.104007. http://dx.doi.org/10.1103/PhysRevD.101.104007.

Pajkos, Michael A., Sean M. Couch, Kuo-Chuan Pan, and Evan P. O’Connor. 2019. “Features of Accretion-Phase Gravitational-Wave Emission from Two-Dimensional Rotating Core-Collapse Supernovae.” The Astrophysical Journal 878 (1) (June 7): 13. doi:10.3847/1538-4357/ab1de2. http://dx.doi.org/10.3847/1538-4357/ab1de2.

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 - ARRAY 2019. doi:10.1145/3315454.3329958. http://dx.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. doi:10.1007/978-3-030-20656-7_1. http://dx.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 6). doi:10.1145/3384441.3395989. http://dx.doi.org/10.1145/3384441.3395989.

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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. doi:10.25080/majora-342d178e-00c. http://dx.doi.org/10.25080/Majora-342d178e-00c.

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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). doi:10.1109/ipdpsw50202.2020.00127. http://dx.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 29). doi:10.1145/3394277.3401846. http://dx.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). doi:10.1109/scala49573.2019.00010. http://dx.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. doi:10.1007/978-3-319-98521-3_3. http://dx.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: 113–127. doi:10.1007/978-3-319-98521-3_8. http://dx.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). doi:10.1109/mchpc49590.2019.00014. http://dx.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). doi:10.1109/sc.2018.00036. http://dx.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 30). doi:10.1145/3357526.3357568. http://dx.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 30). doi:10.1145/3410463.3414625. http://dx.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 21). doi:10.1145/3368826.3377922. http://dx.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). doi:10.1109/ipdps47924.2020.00098. http://dx.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 5). doi:10.1145/3337821.3337913. http://dx.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. doi:10.1007/978-3-319-98521-3_6. http://dx.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 12). doi:10.1145/3148173.3148184. http://dx.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. doi:10.1007/978-3-319-98521-3_5. http://dx.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: 112–119. doi:10.1007/978-3-030-34627-0_9. http://dx.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 13). doi:10.1145/3229710.3229717. http://dx.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 17). doi:10.1145/3295500.3356141. http://dx.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) (March 21): 115107. doi:10.1063/1.5141761. http://dx.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. doi:10.1016/j.commatsci.2020.109932. http://dx.doi.org/10.1016/j.commatsci.2020.109932.

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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: 457–463. doi:10.1007/978-3-030-50436-6_33. http://dx.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) (August 7): 054116. doi:10.1063/5.0014448. http://dx.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): 476–479. doi:10.1016/j.nima.2018.01.035. http://dx.doi.org/10.1016/j.nima.2018.01.035.

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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) (July 7). doi:10.1103/physreve.102.013202. http://dx.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). doi:10.1109/paw-atm.2018.00008. http://dx.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). doi:10.1109/ipdps.2019.00033. http://dx.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) (January 20): 20190053. doi:10.1098/rsta.2019.0053. http://dx.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: 309–327. doi:10.1007/978-3-030-50743-5_16. http://dx.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: 320–332. doi:10.1007/978-3-030-28596-8_22. http://dx.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. doi:10.1007/978-3-030-28596-8_4. http://dx.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: 153–167. doi:10.1007/978-3-030-28596-8_11. http://dx.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: 125–139. doi:10.1007/978-3-030-28596-8_9. http://dx.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). doi:10.1109/pact.2019.00011. http://dx.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). doi:10.1109/mlhpc49564.2019.00006. http://dx.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. doi:10.1007/978-3-030-29400-7_4. http://dx.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). doi:10.1109/ipdps.2019.00099. http://dx.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). doi:10.1109/ipdpsw50202.2020.00174. http://dx.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) (November 1): 2682–2695. doi:10.1109/tpds.2020.3000458. http://dx.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 27). doi:10.1145/3341301.3359630. http://dx.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) (November 1): 76–85. doi:10.1109/mcg.2019.2936674. http://dx.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): 576–589. doi:10.1016/j.future.2019.05.020. http://dx.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) (January): 145–160. doi:10.1007/s11390-020-9822-9. http://dx.doi.org/10.1007/s11390-020-9822-9.

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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) (November 7): 182–194. doi:10.1080/19401493.2018.1534275. http://dx.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) (January 1): 94–110. doi:10.1109/tpds.2019.2928289. http://dx.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) (January 14): 465–477. doi:10.1177/1094342019899451. http://dx.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) (February 13): 1009–1015. doi:10.1080/00295639.2020.1719765. http://dx.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) (January 20): 20190394. doi:10.1098/rsta.2019.0394. http://dx.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) (January 20): 20190056. doi:10.1098/rsta.2019.0056. http://dx.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) (March 16): 1263–1281. doi:10.1007/s11663-020-01808-w. http://dx.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) (March 31): 124101. doi:10.1063/1.5143190. http://dx.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. doi:10.1016/j.jpdc.2019.07.008. http://dx.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): 467–481. doi:10.1016/j.future.2020.01.026. http://dx.doi.org/10.1016/j.future.2020.01.026.

Del Rio, Adrian, 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) (May 27). doi:10.1103/physrevlett.124.211301. http://dx.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) (August 1): 1859–1877. doi:10.1109/tpds.2020.2976057. http://dx.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. doi:10.1016/j.anucene.2020.107388. http://dx.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. doi:10.1016/j.jpdc.2020.04.009. http://dx.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) (January 20): 20190053. doi:10.1098/rsta.2019.0053. http://dx.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) (January): A566–A591. doi:10.1137/17m1140029. http://dx.doi.org/10.1137/17M1140029.

Pothen, Alex, S. M. Ferdous, and Fredrik Manne. 2019. “Approximation Algorithms in Combinatorial Scientific Computing.” Acta Numerica 28 (May 1): 541–633. doi:10.1017/s0962492919000035. http://dx.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). doi:10.1109/ipdpsw50202.2020.00082. http://dx.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) (August 22): 1152–1173. doi:10.1007/s10915-018-0812-9. http://dx.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. doi:10.1016/j.compfluid.2019.104237. http://dx.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) (July): 646–654. doi:10.1016/j.crma.2019.07.006. http://dx.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. doi:10.1016/j.jpdc.2019.05.010. http://dx.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. doi:10.1007/978-3-030-13992-6_16. http://dx.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). doi:10.1109/ipdps.2019.00022. http://dx.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) (January): S2–S18. doi:10.1137/18m1194997. http://dx.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) (June 25): 1308–1324. doi:10.1080/00295450.2020.1748557. http://dx.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. doi:10.1016/j.compfluid.2020.104451. http://dx.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. doi:10.1016/j.compfluid.2020.104602. http://dx.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: 153–167. doi:10.1007/978-3-030-22734-0_12. http://dx.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). doi:10.1109/pmbs49563.2019.00016. http://dx.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 5). doi:10.1145/3337821.3337919. http://dx.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. doi:10.1137/1.9781611976137.5. http://dx.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). doi:10.1109/bhi.2019.8834674. http://dx.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). doi:10.1109/isgt45199.2020.9087776. http://dx.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) (May 14): 1265–1281. doi:10.1785/0120180290. http://dx.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) (July 15). doi:10.1103/physrevaccelbeams.22.071301. http://dx.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) (March): 032505. doi:10.1063/1.5141337. http://dx.doi.org/10.1063/1.5141337.

Kerby, L. 2019. “Volumetric Spherical Polynomials.” AIP Advances 9 (6) (June): 065107. doi:10.1063/1.5086695. http://dx.doi.org/10.1063/1.5086695.

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 23). doi:10.1145/3388333.3388660. http://dx.doi.org/10.1145/3388333.3388660.

Ge, Wenjun, Ramanan Sankaran, and Jacqueline H. Chen. 2020. “Development of a CPU/GPU Portable Software Library for Lagrangian–Eulerian Simulations of Liquid Sprays.” International Journal of Multiphase Flow 128 (July): 103293. doi:10.1016/j.ijmultiphaseflow.2020.103293. http://dx.doi.org/10.1016/j.ijmultiphaseflow.2020.103293.

Kent, P. R. C., Abdulgani Annaberdiyev, Anouar Benali, M. Chandler Bennett, Edgar Josué Landinez Borda, Peter Doak, Hongxia Hao, et al. 2020. “QMCPACK: Advances in the Development, Efficiency, and Application of Auxiliary Field and Real-Space Variational and Diffusion Quantum Monte Carlo.” The Journal of Chemical Physics 152 (17) (May 7): 174105. doi:10.1063/5.0004860. http://dx.doi.org/10.1063/5.0004860.

Cusentino, M. A., M. A. Wood, and A. P. Thompson. 2020. “Explicit Multielement Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems.” The Journal of Physical Chemistry A 124 (26) (May 20): 5456–5464. doi:10.1021/acs.jpca.0c02450. http://dx.doi.org/10.1021/acs.jpca.0c02450.

Richard, Ryan M., Colleen Bertoni, Jeffery S. Boschen, Kristopher Keipert, Benjamin Pritchard, Edward F. Valeev, Robert J. Harrison, Wibe A. de Jong, and Theresa L. Windus. 2019. “Developing a Computational Chemistry Framework for the Exascale Era.” Computing in Science & Engineering 21 (2) (March 1): 48–58. doi:10.1109/mcse.2018.2884921. http://dx.doi.org/10.1109/MCSE.2018.2884921.

Bylaska, Eric J, Kevin Waters, Eric D Hermes, Judit Zádor, and Kevin M Rosso. 2020. “A Filon-Like Integration Strategy for Calculating Exact Exchange in Periodic Boundary Conditions: a Plane-Wave DFT Implementation.” Materials Theory 4 (1) (April 17). doi:10.1186/s41313-020-00019-9. http://dx.doi.org/10.1186/s41313-020-00019-9.

Joo, Balint, Thorsten Kurth, M. A. Clark, Jeongnim Kim, Christian Robert Trott, Dan Ibanez, Daniel Sunderland, and Jack Deslippe. 2019. “Performance Portability of a Wilson Dslash Stencil Operator Mini-App Using Kokkos and SYCL.” 2019 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC) (November). doi:10.1109/p3hpc49587.2019.00007. http://dx.doi.org/10.1109/P3HPC49587.2019.00007.

Binyahib, Roba, David Pugmire, and Hank Childs. 2019. “In Situ Particle Advection via Parallelizing over Particles.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization (November 18). doi:10.1145/3364228.3364235. http://dx.doi.org/10.1145/3364228.3364235.

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Noordsij, Lennart, Steven van der Vlugt, Mohamed A. Bamakhrama, Zaid Al-Ars, and Peter Lindstrom. 2020. “Parallelization of Variable Rate Decompression through Metadata.” 2020 28th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP) (March). doi:10.1109/pdp50117.2020.00045. http://dx.doi.org/10.1109/PDP50117.2020.00045.

Loe, Jennifer A., Heidi K. Thornquist, and Erik G. Boman. 2020. “Polynomial Preconditioned GMRES in Trilinos: Practical Considerations for High-Performance Computing.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing (January): 35–45. doi:10.1137/1.9781611976137.4. http://dx.doi.org/10.1137/1.9781611976137.4.

Ding, Nan, Samuel Williams, Yang Liu, and Xiaoye S. Li. 2020. “Leveraging One-Sided Communication for Sparse Triangular Solvers.” Proceedings of the 2020 SIAM Conference on Parallel Processing for Scientific Computing (January): 93–105. doi:10.1137/1.9781611976137.9. http://dx.doi.org/10.1137/1.9781611976137.9.

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) (April 22): 394–408. doi:10.1177/1094342020918305. http://dx.doi.org/10.1177/1094342020918305.

Dener, Alp, and Todd Munson. 2019. “Accelerating Limited-Memory Quasi-Newton Convergence for Large-Scale Optimization.” Computational Science – ICCS 2019: 495–507. doi:10.1007/978-3-030-22744-9_39. http://dx.doi.org/10.1007/978-3-030-22744-9_39.

Luszczek, Piotr, Ichitaro Yamazaki, and Jack Dongarra. 2019. “Increasing Accuracy of Iterative Refinement in Limited Floating-Point Arithmetic on Half-Precision Accelerators.” 2019 IEEE High Performance Extreme Computing Conference (HPEC) (September). doi:10.1109/hpec.2019.8916392. http://dx.doi.org/10.1109/HPEC.2019.8916392.

Shende, Sameer, Nicholas Chaimov, Allen Malony, and Neena Imam. 2019. “Multi-Level Performance Instrumentation for Kokkos Applications Using TAU.” 2019 IEEE/ACM International Workshop on Programming and Performance Visualization Tools (ProTools) (November). doi:10.1109/protools49597.2019.00012. http://dx.doi.org/10.1109/ProTools49597.2019.00012.

Wei, Lai, and John Mellor-Crummey. 2020. “Using Sample-Based Time Series Data for Automated Diagnosis of Scalability Losses in Parallel Programs.” Proceedings of the 25th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (February 19). doi:10.1145/3332466.3374538. http://dx.doi.org/10.1145/3332466.3374538.

Danalis, Anthony, Heike Jagode, Thomas Herault, Piotr Luszczek, and Jack Dongarra. 2019. “Software-Defined Events through PAPI.” 2019 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (May). doi:10.1109/ipdpsw.2019.00069. http://dx.doi.org/10.1109/IPDPSW.2019.00069.

Perarnau, Swann, Brian C. Van Essen, Roberto Gioiosa, Kamil Iskra, Maya B. Gokhale, Kazutomo Yoshii, and Pete Beckman. 2019. “Argo.” High-Performance Computing Series: 199–220. doi:10.1007/978-981-13-6624-6_12. http://dx.doi.org/10.1007/978-981-13-6624-6_12.

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). doi:10.1109/ipdps.2019.00104. http://dx.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). doi:10.1109/paw-atm49560.2019.00008. http://dx.doi.org/10.1109/PAW-ATM49560.2019.00008.

Cao, Qinglei , Yu Pei, Thomas Herauldt, 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). doi:10.1109/protools49597.2019.00009. http://dx.doi.org/10.1109/protools49597.2019.00009.

Lee, Wonchan, Manolis Papadakis, Elliott Slaughter, and Alex Aiken. 2019. “A Constraint-Based Approach to Automatic Data Partitioning for Distributed Memory Execution.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (November 17). doi:10.1145/3295500.3356199. http://dx.doi.org/10.1145/3295500.3356199.

Slaughter, Elliott, and Alex Aiken. 2019. “Pygion: Flexible, Scalable Task-Based Parallelism with Python.” 2019 IEEE/ACM Parallel Applications Workshop, Alternatives To MPI (PAW-ATM) (November). doi:10.1109/paw-atm49560.2019.00011. http://dx.doi.org/10.1109/PAW-ATM49560.2019.00011.

Bauer, Michael, and Michael Garland. 2019. “Legate NumPy.” Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (November 17). doi:10.1145/3295500.3356175. http://dx.doi.org/10.1145/3295500.3356175.

Fischer, Paul, Misun Min, Thilina Rathnayake, Som Dutta, Tzanio Kolev, Veselin Dobrev, Jean-Sylvain Camier, et al. 2020. “Scalability of High-Performance PDE Solvers.” The International Journal of High Performance Computing Applications 34 (5) (June 15): 562–586. doi:10.1177/1094342020915762. http://dx.doi.org/10.1177/1094342020915762.

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.

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): 118–128. doi:10.1137/1.9781611976137.11. http://dx.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) (February 1): 176–192. doi:10.1107/s2059798320000418. http://dx.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 17). doi:10.1145/3295500.3356202. http://dx.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). doi:10.1109/bigdata47090.2019.9006270. http://dx.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). doi:10.1109/mlhpc49564.2019.00006. http://dx.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). doi:10.1109/ipdps47924.2020.00102. http://dx.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) (July 1): 1665–1680. doi:10.1109/tpds.2020.2972548. http://dx.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 21). doi:10.1145/3369583.3392688. http://dx.doi.org/10.1145/3369583.3392688.

Kwack, JaeHyuk, Colleen Bertoni, Buu Pham, and Jeff Larkin. 2020. “Performance of the RI-MP2 Fortran Kernel of GAMESS on GPUs via Directive-Based Offloading with Math Libraries.” Lecture Notes in Computer Science: 91–113. doi:10.1007/978-3-030-49943-3_5. http://dx.doi.org/10.1007/978-3-030-49943-3_5.

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) (June 22): 065003. doi:10.1088/1361-651x/ab9734. http://dx.doi.org/10.1088/1361-651X/ab9734.

Poole, David, Jorge L. Galvez Vallejo, and Mark S. Gordon. 2020. “A New Kid on the Block: Application of Julia to Hartree–Fock Calculations.” Journal of Chemical Theory and Computation 16 (8) (July 7): 5006–5013. doi:10.1021/acs.jctc.0c00337. http://dx.doi.org/10.1021/acs.jctc.0c00337.

Fang, Yuanwei, Chen Zou, Aaron J. Elmore, and Andrew A. Chien. 2017. “UDP.” Proceedings of the 50th Annual IEEE/ACM International Symposium on Microarchitecture (October 14). doi:10.1145/3123939.3123983. http://dx.doi.org/10.1145/3123939.3123983.

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 17). doi:10.1145/3307681.3326608. http://dx.doi.org/10.1145/3307681.3326608.

Krolewski, Alex, Khee-Gan Lee, Zarija Lukić, and Martin White. 2017. “Measuring Alignments Between Galaxies and the Cosmic Web at z ∼ 2–3 Using IGM Tomography.” The Astrophysical Journal 837 (1) (February 28): 31. doi:10.3847/1538-4357/837/1/31. http://dx.doi.org/10.3847/1538-4357/837/1/31.

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 11). doi:10.1145/3208040.3208050. http://dx.doi.org/10.1145/3208040.3208050.

Biswas, Ayan, Soumya Dutta, Jesus Pulido, and James Ahrens. 2018. “In Situ Data-Driven Adaptive Sampling for Large-Scale Simulation Data Summarization.” Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization (November 11). doi:10.1145/3281464.3281467. http://dx.doi.org/10.1145/3281464.3281467.

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) (November 15): 285–303. doi:10.1177/1094342017737147. http://dx.doi.org/10.1177/1094342017737147.

Xie, Cong, Wen Zhong, Wei Xu, and Klaus Mueller. 2019. “Visual Analytics of Heterogeneous Data Using Hypergraph Learning.” ACM Transactions on Intelligent Systems and Technology 10 (1) (January 16): 1–26. doi:10.1145/3200765. http://dx.doi.org/10.1145/3200765.

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) (July 9): 1201–1220. doi:10.1177/1094342019853336. http://dx.doi.org/10.1177/1094342019853336.

Hannah, W. M., C. R. Jones, B. R. Hillman, M. R. Norman, D. C. Bader, M. A. Taylor, L. R. Leung, et al. 2020. “Initial Results From the Super‐Parameterized E3SM.” Journal of Advances in Modeling Earth Systems 12 (1) (January). Portico. doi:10.1029/2019ms001863. http://dx.doi.org/10.1029/2019MS001863.

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 5). doi:10.1145/3337821.3337905. http://dx.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) (January 28): 739–747. Portico. doi:10.1002/2017gl076505. http://dx.doi.org/10.1002/2017GL076505.

Park, J., S. S. Bulanov, J. Bin, Q. Ji, S. Steinke, J.-L. Vay, C. G. R. Geddes, et al. 2019. “Ion Acceleration in Laser Generated Megatesla Magnetic Vortex.” Physics of Plasmas 26 (10) (October): 103108. doi:10.1063/1.5094045. http://dx.doi.org/10.1063/1.5094045.

Plimpton, S. J., S. G. Moore, A. Borner, A. K. Stagg, T. P. Koehler, J. R. Torczynski, and M. A. Gallis. 2019. “Direct Simulation Monte Carlo on Petaflop Supercomputers and Beyond.” Physics of Fluids 31 (8) (August): 086101. doi:10.1063/1.5108534. http://dx.doi.org/10.1063/1.5108534.

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) (May 16): 1900185. Portico. doi:10.1002/adem.201900185. http://dx.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). doi:10.1109/ipdps.2017.115. http://dx.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. doi:10.1016/j.parco.2019.102546. http://dx.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. doi:10.1016/j.compchemeng.2019.106578. http://dx.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): 506–518. doi:10.1016/j.anucene.2017.11.032. http://dx.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): 363–371. doi:10.1016/j.proci.2018.07.113. http://dx.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): 102–110. doi:10.1016/j.cpc.2018.09.015. http://dx.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) (February 27): 1268–1284. doi:10.1785/0220180261. http://dx.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). doi:10.1109/cluster.2018.00036. http://dx.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). doi:10.1109/cluster.2018.00013. http://dx.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) (July): 1568–1582. doi:10.14778/3342263.3342634. http://dx.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) (February 1): 331–345. doi:10.1109/tpds.2018.2859932. http://dx.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) (January 1): 129–143. doi:10.1109/tpds.2017.2749300. http://dx.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). doi:10.1109/pmbs.2018.8641631. http://dx.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). doi:10.1109/cluster.2018.00048. http://dx.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). doi:10.1109/ipdps.2018.00098. http://dx.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). doi:10.1109/pmbs.2018.8641569. http://dx.doi.org/10.1109/PMBS.2018.8641569.

Aaziz, Omar, Jeanine Cook, Jonathan Cook, Tanner Juedeman, David Richards, and Courtenay Vaughan. 2018. “A Methodology for Characterizing the Correspondence Between Real and Proxy Applications.” 2018 IEEE International Conference on Cluster Computing (CLUSTER) (September). doi:10.1109/cluster.2018.00037. http://dx.doi.org/10.1109/CLUSTER.2018.00037.

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) (January): 215–224. doi:10.1109/tvcg.2018.2865026. http://dx.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. doi:10.1016/j.anucene.2020.107327. http://dx.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): 236–247. doi:10.1016/j.anucene.2019.01.012. http://dx.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) (August 1): 1857–1871. doi:10.1109/tpds.2019.2894404. http://dx.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). doi:10.1109/espm2.2018.00004. http://dx.doi.org/10.1109/ESPM2.2018.00004.

Cavallotti, C., M. Pelucchi, Y. Georgievskii, and S. J. Klippenstein. 2018. “EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate Constants—A Code for Automatically Predicting the Thermal Kinetics of Reactions.” Journal of Chemical Theory and Computation 15 (2) (December 21): 1122–1145. doi:10.1021/acs.jctc.8b00701. http://dx.doi.org/10.1021/acs.jctc.8b00701.

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) (August): 4581–4589. doi:10.1021/acs.jctc.8b00294. http://dx.doi.org/10.1021/acs.jctc.8b00294.

Mutlu, Erdal, Ajay Panyala, and Sriram Krishnamoorthy. 2018. “HPC Software Verification in Action: A Case Study with Tensor Transposition.” 2018 IEEE/ACM 2nd International Workshop on Software Correctness for HPC Applications (Correctness) (November). doi:10.1109/correctness.2018.00006. http://dx.doi.org/10.1109/Correctness.2018.00006.

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) (June 27): 6210–6228. doi:10.1021/acs.jpca.9b03592. http://dx.doi.org/10.1021/acs.jpca.9b03592.

Messina, Paul. 2017. “The Exascale Computing Project.” Computing in Science & Engineering 19 (3) (May): 63–67. doi:10.1109/mcse.2017.57. http://dx.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) (September 25): 5597–5607. doi:10.1021/acs.jctc.8b00171. http://dx.doi.org/10.1021/acs.jctc.8b00171.

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