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Predictive scale-bridging simulations through active learning Karra, Satish; Mehana, Mohamed; Lubbers, Nicholas; Chen, Yu; Diaw, Abdourahmane; Santos, Javier E.; Pachalieva, Aleksandra; Pavel, Robert S.; Haack, Jeffrey R.; Mckerns, Michael; Junghans, Christoph; Kang, Qinjun; Livescu, Daniel; Germann, Timothy C.; Viswanathan, Hari S. Share Save
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Parthenon-a performance portable block-structured adaptive mesh refinement framework 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. Share Save
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Enabling particle applications for exascale computing platforms Mniszewski, Susan M.; Belak, James; Fattebert, Jean-Luc; Negre, Christian F. A.; Slattery, Stuart R.; Adedoyin, Adetokunbo A.; Bird, Robert F.; Chang, Choongseok; Chen, Guangye; Ethier, Stephane; Fogerty, Shane; Habib, Salman; Junghans, Christoph; Lebrun-Grandie, Damien; Mohd-Yusof, Jamaludin; Moore, Stan G.; Osei-Kuffuor, Daniel; Plimpton, Steven J.; Pope, Adrian; Reeve, Samuel Temple; Ricketson, Lee; Scheinberg, Aaron; Sharma, Amil Y.; Wall, Michael E. Share Save
Modeling and scale-bridging using machine learning: nanoconfinement effects in porous media Lubbers, Nicholas; Agarwal, Animesh; Chen, Yu; Son, Soyoun; Mehana, Mohamed; Kang, Qinjun; Karra, Satish; Junghans, Christoph; Germann, Timothy C.; Viswanathan, Hari S. Share Save
Excited-state electronic structure of molecules using many-body Green's functions: Quasiparticles and electron-hole excitations with VOTCA-XTP Tirimbo, G.; Sundaram, V; Caylak, O.; Scharpach, W.; Sijen, J.; Junghans, C.; Brown, J.; Ruiz, F. Zapata; Renaud, N.; Wehner, J.; Baumeier, B. Share Save
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Spatial adaptive sampling in multiscale simulation Rouet-Leduc, Bertrand; Barros, Kipton; Cieren, Emmanuel; Elango, Venmugil; Junghans, Christoph; Lookman, Turab; Mohd-Yusof, Jamaludin; Pavel, Robert S.; Rivera, Axel Y.; Roehm, Dominic; McPherson, Allen L.; Germann, Timothy C. Share Save
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