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UID:submissions.supercomputing.org_SC23_sess296@linklings.com
SUMMARY:ACM Gordon Bell Finalists Presentations 1
DESCRIPTION:Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio 
 Simulations of Quasicrystals and Interacting Extended Defects in Metallic 
 Alloys\n\nAb initio electronic-structure has remained dichotomous between 
 achievable accuracy and length-scale. Quantum many-body (QMB) methods real
 ize quantum accuracy but fail to scale. Density functional theory (DFT) sc
 ales favorably but remains far from quantum accuracy. We present a framewo
 rk that breaks...\n\n\nSambit Das, Bikash Kanungo, and Vishal Subramanian 
 (University of Michigan); Gourab Panigrahi and Phani Motamarri (Indian Ins
 titute of Science); David Rogers (Oak Ridge National Laboratory (ORNL)); a
 nd Paul Zimmerman and Vikram Gavini (University of Michigan)\n------------
 ---------\nScaling the Leading Accuracy of Deep Equivariant Models to Biom
 olecular Simulations of Realistic Size\n\nThis work brings the leading acc
 uracy, sample efficiency, and robustness of deep equivariant neural networ
 ks to the extreme computational scale. This is achieved through a combinat
 ion of innovative model architecture, massive parallelization, and models 
 and implementations optimized for efficient GP...\n\n\nBoris Kozinsky, Alb
 ert Musaelian, Anders Johansson, and Simon Batzner (Harvard University)\n-
 --------------------\nExascale Multiphysics Nuclear Reactor Simulations fo
 r Advanced Designs\n\nENRICO is a coupled application developed under the 
 US Department of Energy’s Exascale Computing Project (ECP) targeting the m
 odeling of advanced nuclear reactors. It couples radiation transport with 
 heat and fluid simulation, including the high-fidelity, high-resolution Mo
 nte-Carlo code Shift...\n\n\nElia Merzari (Pennsylvania State University);
  Steven Hamilton and Tom Evans (Oak Ridge National Laboratory (ORNL)); Mis
 un Min (Argonne National Laboratory (ANL)); Paul Fischer (University of Il
 linois); Stefan Kerkemeier, Jun Fang, and Paul Romano (Argonne National La
 boratory (ANL)); Yu-Hsiang Lan (University of Illinois); Malachi Phillips 
 (University of Illinois, Sandia National Laboratories); Elliott Biondo and
  Katherine Royston (Oak Ridge National Laboratory (ORNL)); Tim Warburton (
 Virginia Tech); Noel Chalmers (Advanced Micro Devices (AMD) Inc); and Thil
 ina Rathnayake (University of Illinois)\n\nRegistration Category: Tech Pro
 gram Reg Pass\n\nSession Chair: Taisuke Boku (University of Tsukuba, Advan
 ced HPC‑AI Research and Development Support Center (HAIRDESC))
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