Search Results - "The International journal of high performance computing applications"

AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics by Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E

“…We develop a generalizable AI-driven workflow that leverages heterogeneous HPC resources to explore the time-dependent dynamics of molecular systems. We use…”
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Use cases of lossy compression for floating-point data in scientific data sets by Cappello, Franck, Di, Sheng, Li, Sihuan, Liang, Xin, Gok, Ali Murat, Tao, Dingwen, Yoon, Chun Hong, Wu, Xin-Chuan, Alexeev, Yuri, Chong, Frederic T

“…Architectural and technological trends of systems used for scientific computing call for a significant reduction of scientific data sets that are composed…”
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The future of scientific workflows by Deelman, Ewa, Peterka, Tom, Altintas, Ilkay, Carothers, Christopher D, van Dam, Kerstin Kleese, Moreland, Kenneth, Parashar, Manish, Ramakrishnan, Lavanya, Taufer, Michela, Vetter, Jeffrey

“…Today’s computational, experimental, and observational sciences rely on computations that involve many related tasks. The success of a scientific mission often…”
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Towards a computing continuum: Enabling edge-to-cloud integration for data-driven workflows by Balouek-Thomert, Daniel, Renart, Eduard Gibert, Zamani, Ali Reza, Simonet, Anthony, Parashar, Manish

“…Dramatic changes in the technology landscape marked by increasing scales and pervasiveness of compute and data have resulted in the proliferation of edge…”
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Scalability of high-performance PDE solvers by Fischer, Paul, Min, Misun, Rathnayake, Thilina, Dutta, Som, Kolev, Tzanio, Dobrev, Veselin, Camier, Jean-Sylvain, Kronbichler, Martin, Warburton, Tim, Świrydowicz, Kasia, Brown, Jed

“…Performance tests and analyses are critical to effective high-performance computing software development and are central components in the design and…”
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AMReX: Block-structured adaptive mesh refinement for multiphysics applications by Zhang, Weiqun, Myers, Andrew, Gott, Kevin, Almgren, Ann, Bell, John

“…Block-structured adaptive mesh refinement (AMR) provides the basis for the temporal and spatial discretization strategy for a number of Exascale Computing…”
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A terminology for in situ visualization and analysis systems by Childs, Hank, Ahern, Sean D., Ahrens, James, Bauer, Andrew C., Bennett, Janine, Bethel, E. Wes, Bremer, Peer-Timo, Brugger, Eric, Cottam, Joseph, Dorier, Matthieu, Dutta, Soumya, Favre, Jean M., Fogal, Thomas, Frey, Steffen, Garth, Christoph, Geveci, Berk, Godoy, William F., Hansen, Charles D., Harrison, Cyrus, Hentschel, Bernd, Insley, Joseph, Johnson, Chris R., Klasky, Scott, Knoll, Aaron, Kress, James, Larsen, Matthew, Lofstead, Jay, Ma, Kwan-Liu, Malakar, Preeti, Meredith, Jeremy, Moreland, Kenneth, Navrátil, Paul, O’Leary, Patrick, Parashar, Manish, Pascucci, Valerio, Patchett, John, Peterka, Tom, Petruzza, Steve, Podhorszki, Norbert, Pugmire, David, Rasquin, Michel, Rizzi, Silvio, Rogers, David H., Sane, Sudhanshu, Sauer, Franz, Sisneros, Robert, Shen, Han-Wei, Usher, Will, Vickery, Rhonda, Vishwanath, Venkatram, Wald, Ingo, Wang, Ruonan, Weber, Gunther H., Whitlock, Brad, Wolf, Matthew, Yu, Hongfeng, Ziegeler, Sean B.

“…The term “in situ processing” has evolved over the last decade to mean both a specific strategy for visualizing and analyzing data and an umbrella term for a…”
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COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol by Dommer, Abigail, Casalino, Lorenzo, Kearns, Fiona, Rosenfeld, Mia, Wauer, Nicholas, Ahn, Surl-Hee, Russo, John, Oliveira, Sofia, Morris, Clare, Bogetti, Anthony, Trifan, Anda, Brace, Alexander, Sztain, Terra, Clyde, Austin, Ma, Heng, Chennubhotla, Chakra, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Tamayo-Mendoza, Teresa, Welborn, Matthew, Christensen, Anders, Smith, Daniel GA, Qiao, Zhuoran, Sirumalla, Sai K, O’Connor, Michael, Manby, Frederick, Anandkumar, Anima, Hardy, David, Phillips, James, Stern, Abraham, Romero, Josh, Clark, David, Dorrell, Mitchell, Maiden, Tom, Huang, Lei, McCalpin, John, Woods, Christopher, Gray, Alan, Williams, Matt, Barker, Bryan, Rajapaksha, Harinda, Pitts, Richard, Gibbs, Tom, Stone, John, Zuckerman, Daniel M., Mulholland, Adrian J., Miller, Thomas, Jha, Shantenu, Ramanathan, Arvind, Chong, Lillian, Amaro, Rommie E

“…We seek to completely revise current models of airborne transmission of respiratory viruses by providing never-before-seen atomic-level views of the SARS-CoV-2…”
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PyCOMPSs: Parallel computational workflows in Python by Tejedor, Enric, Becerra, Yolanda, Alomar, Guillem, Queralt, Anna, Badia, Rosa M, Torres, Jordi, Cortes, Toni, Labarta, Jesús

“…The use of the Python programming language for scientific computing has been gaining momentum in the last years. The fact that it is compact and readable and…”
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PeleC: An adaptive mesh refinement solver for compressible reacting flows by Henry de Frahan, Marc T, Rood, Jon S, Day, Marc S, Sitaraman, Hariswaran, Yellapantula, Shashank, Perry, Bruce A, Grout, Ray W, Almgren, Ann, Zhang, Weiqun, Bell, John B, Chen, Jacqueline H

“…Reacting flow simulations for combustion applications require extensive computing capabilities. Leveraging the AMReX library, the Pele suite of combustion…”
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A scalable Euler–Lagrange approach for multiphase flow simulation on spectral elements by Zwick, David, Balachandar, S

“…Multiphase flow can be difficult to simulate with high accuracy due to the wide range of scales associated with various multiphase phenomena. These scales may…”
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MFIX-Exa: A path toward exascale CFD-DEM simulations by Musser, Jordan, Almgren, Ann S, Fullmer, William D, Antepara, Oscar, Bell, John B, Blaschke, Johannes, Gott, Kevin, Myers, Andrew, Porcu, Roberto, Rangarajan, Deepak, Rosso, Michele, Zhang, Weiqun, Syamlal, Madhava

“…MFIX-Exa is a computational fluid dynamics–discrete element model (CFD-DEM) code designed to run efficiently on current and next-generation supercomputing…”
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High-performance conjugate-gradient benchmark: A new metric for ranking high-performance computing systems by Dongarra, Jack, Heroux, Michael A, Luszczek, Piotr

“…We describe a new high-performance conjugate-gradient (HPCG) benchmark. HPCG is composed of computations and data-access patterns commonly found in scientific…”
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A population data-driven workflow for COVID-19 modeling and learning by Ozik, Jonathan, Wozniak, Justin M, Collier, Nicholson, Macal, Charles M, Binois, Mickaël

“…CityCOVID is a detailed agent-based model that represents the behaviors and social interactions of 2.7 million residents of Chicago as they move between and…”
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Dynamic spawning of MPI processes applied to malleability by Martín-Álvarez, Iker, Aliaga, José I, Castillo, Maribel, Iserte, Sergio, Mayo, Rafael

“…Malleability allows computing facilities to adapt their workloads through resource management systems to maximize the throughput of the facility and the…”
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Massively parallel nodal discontinous Galerkin finite element method simulator for room acoustics by Melander, Anders, Strøm, Emil, Pind, Finnur, Engsig-Karup, Allan P, Jeong, Cheol-Ho, Warburton, Tim, Chalmers, Noel, Hesthaven, Jan S

“…We present a massively parallel and scalable nodal discontinuous Galerkin finite element method (DGFEM) solver for the time-domain linearized acoustic wave…”
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Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models by Jacobs, Sam Ade, Moon, Tim, McLoughlin, Kevin, Jones, Derek, Hysom, David, Ahn, Dong H, Gyllenhaal, John, Watson, Pythagoras, Lightstone, Felice C, Allen, Jonathan E, Karlin, Ian, Van Essen, Brian

“…We improved the quality and reduced the time to produce machine learned models for use in small molecule antiviral design. Our globally asynchronous…”
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Parthenon—a performance portable block-structured adaptive mesh refinement framework by Grete, Philipp, Dolence, Joshua C, Miller, Jonah M, Brown, Joshua, Ryan, Ben, Gaspar, Andrew, Glines, Forrest, Swaminarayan, Sriram, Lippuner, Jonas, Solomon, Clell J, Shipman, Galen, Junghans, Christoph, Holladay, Daniel, Stone, James M, Roberts, Luke F

“…On the path to exascale the landscape of computer device architectures and corresponding programming models has become much more diverse. While various…”
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A survey of software implementations used by application codes in the Exascale Computing Project by Evans, Thomas M, Siegel, Andrew, Draeger, Erik W, Deslippe, Jack, Francois, Marianne M, Germann, Timothy C, Hart, William E, Martin, Daniel F

“…The US Department of Energy Office of Science and the National Nuclear Security Administration initiated the Exascale Computing Project (ECP) in 2016 to…”
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Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics by Schade, Robert, Kenter, Tobias, Elgabarty, Hossam, Lass, Michael, Kühne, Thomas D., Plessl, Christian

“…The non-orthogonal local submatrix method applied to electronic structure–based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in…”
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