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BEGIN:VEVENT
DTSTAMP:20260605T154540Z
LOCATION:Bldg. 6 - Room 002
DTSTART;TZID=Europe/Stockholm:20260629T133000
DTEND;TZID=Europe/Stockholm:20260629T153000
UID:submissions.pasc-conference.org_PASC26_sess102@linklings.com
SUMMARY:MS1A - Next-Gen Scientific Workflows: Co-Designing for HPC, Cloud,
  and Beyond
DESCRIPTION:Organizer(s): Fabio Affinito (CINECA), Nur Aiman Fadel (ETH Zu
 rich / CSCS), and Filippo Spiga (NVIDIA Inc.)\n\nThe increasing complexity
  and heterogeneity of modern scientific applications require advanced appr
 oaches to orchestrating and optimizing computational workflows across high
 -performance computing (HPC) and cloud environments. Scientific domains su
 ch as materials science, earth system modelling, and life sciences increas
 ingly rely on complex, data- and compute-intensive workflows that span het
 erogeneous infrastructures and software stacks. This workshop aims to brin
 g together researchers, software developers, and infrastructure providers 
 to explore workflow management and system co-design in the context of real
 -world applications. The minisymposium cover three use cases, each represe
 nting a distinct scientific domain: materials design and discovery, earth 
 science, and computational life sciences. Each session will showcase domai
 n-specific challenges in workflow definition, execution, and optimization 
 across distributed resources, illustrating how workflow tools and HPC/clou
 d integration can accelerate scientific innovation. A concluding panel dis
 cussion will gather experts in HPC architecture, workflow runtime systems,
  and scientific software engineering to reflect on cross-domain lessons, b
 est practices, and the future of workflow co-design at exascale. The works
 hop will foster interdisciplinary exchange between domain scientists and t
 echnology developers, promoting collaboration toward the next generation o
 f interoperable, efficient, and sustainable workflow solutions for scienti
 fic discovery.\n\nHPC Challenges and Prospects in Multi-Scale Geoscience M
 odeling and Forecasting\n\nEarth dynamics are governed by highly complex, 
 multi-scale and often non-linear processes. Despite this complexity, geosc
 iences have achieved breakthroughs in measuring and modeling the earth. Te
 chnological advances have boosted data acquisition through high-precision 
 instrumental networks and sophi...\n\n\nLouise Cordrie (CINECA)\n---------
 ------------\nComplex Workflows in Materials Science: Challenges for HPC a
 nd FAIR Data Capture\n\nMaterials science comprises a multitude of differe
 nt techniques, be it experimental sample synthesis, preparation, and chara
 cterization or theoretical and computational approaches to model these exp
 erimental observations, providing predictions of new materials and their p
 roperties. Workflows for sam...\n\n\nClaudia Draxl (Humboldt-Universität z
 u Berlin)\n---------------------\nIMPECCABLE: An Integrated Drug Discovery
  Workflow Comprising AI, Physics and Experiment\n\nI describe the IMPECCAB
 LE workflow which runs on Frontier, the world’s first exascale computer. I
 t implements and couples AI and physics-based (PB) methods to perform and 
 accelerate a powerful and reliable drug discovery process. It involves scr
 eening, generating and evaluating candidate molec...\n\n\nPeter Coveney (U
 niversity College London)\n---------------------\nPanel on the Evolution o
 f Workflow Management Software in Service of Scientific Discovery\n\nThis 
 concluding panel discussion gather experts in HPC architecture, workflow r
 untime systems, and scientific software engineering to reflect on cross-do
 main lessons, best practices, and the future of workflow co-design at exas
 cale. The panelists are representative of different solutions for workflo.
 ..\n\n\nFabio Affinito (CINECA), Iacopo Colonnelli (University of Turin), 
 Juan Pablo Dorsch (ETH Zurich / CSCS), Francesc Lordan (Barcelona Supercom
 puting Center), and Julian Geiger (Paul Scherrer Institute)\n\nDomain: Che
 mistry and Materials, Climate, Weather, and Earth Sciences, Life Sciences,
  Computational Methods and Applied Mathematics\n\nSession Chairs: Fabio Af
 finito (CINECA), Nur Aiman Fadel (ETH Zurich / CSCS), and Filippo Spiga (N
 VIDIA Inc.)
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