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DTSTAMP:20260522T162633Z
LOCATION:Bldg. 6 - Room 103
DTSTART;TZID=Europe/Stockholm:20260701T113000
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UID:submissions.pasc-conference.org_PASC26_sess176@linklings.com
SUMMARY:AP2E - ACM Papers: GPU-Accelerated Methods
DESCRIPTION:Accelerating Electrostatically-Embedded Fragmentation Methods 
 using Graphics Processing Units\n\nPredicting the physicochemical properti
 es of large molecular systems requires quantum chemistry methods that are 
 both accurate and computationally scalable. Electrostatically embedded fra
 gmentation approaches, such as the Fragment Molecular Orbital(FMO)method, 
 have been highly successful in extendin...\n\n\nFazeleh Kazemian (The Mona
 sh University, The Australian National University); Jorge Galvez-Vallejo (
 The Australian National University); and Giuseppe Barca (The Monash Univer
 sity, The Australian National University)\n---------------------\nGPU Halo
  Replay: Lossless Twin Simulations for Flexible In Situ Analysis of Stenci
 l-Based Solvers\n\nWe introduce GPU Halo Replay, a solver‐aware in situ fr
 amework for stencil‐based applications that creates a lossless simulation 
 "twin" for advanced visualization and analysis. By decoupling analysis fro
 m the primary simulation and delegating it to dedicated twin simulations, 
 GPU Halo Re...\n\n\nAyman Yousef, Aristotle Martin, and Amanda Randles (Du
 ke University)\n---------------------\nAccelerate Radiative Transfer Simul
 ations for the Cosmic Epoch of Reionisation\n\nThe most time-consuming par
 t of radiative transfer cosmological simulations for the Epoch of Reionisa
 tion is the ray-tracing algorithm. This involves computing the hydrogen co
 lumn density along the path of the ionising photons. In this work, we pres
 ent an updated version of pyC2Ray, a massively para...\n\n\nMichele Bianco
  and Tommaso Boschi (ETH Zurich), Christopher Bignamini (ETH Zurich / CSCS
 ), Osman Seckin Simsek (University of Basel), Sebastian Keller (ETH Zurich
  / CSCS), Florina M. Ciorba (University of Basel), Yves Revaz (EPFL), and 
 Alexandre Refregier (ETH Zurich)\n\nSession Chair: Stanislaw Ostyk-Narbutt
  (Politecnico di Milano)
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