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DTSTAMP:20260421T090513Z
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:The increasing complexity and heterogeneity of modern scientif
 ic applications require advanced approaches to orchestrating and optimizin
 g computational workflows across high-performance computing (HPC) and clou
 d environments. Scientific domains such as materials science, earth system
  modelling, and life sciences increasingly rely on complex, data- and comp
 ute-intensive workflows that span heterogeneous infrastructures and softwa
 re stacks. This workshop aims to bring together researchers, software deve
 lopers, and infrastructure providers to explore workflow management and sy
 stem co-design in the context of real-world applications. The minisymposiu
 m cover three use cases, each representing a distinct scientific domain: m
 aterials design and discovery, earth science, and computational life scien
 ces. Each session will showcase domain-specific challenges in workflow def
 inition, execution, and optimization across distributed resources, illustr
 ating how workflow tools and HPC/cloud integration can accelerate scientif
 ic innovation. A concluding panel discussion will gather experts in HPC ar
 chitecture, workflow runtime systems, and scientific software engineering 
 to reflect on cross-domain lessons, best practices, and the future of work
 flow co-design at exascale. The workshop will foster interdisciplinary exc
 hange between domain scientists and technology developers, promoting colla
 boration toward the next generation of interoperable, efficient, and susta
 inable workflow solutions for scientific discovery.\n\nPanel on the Evolut
 ion of Workflow Management Software in Service of Scientific Discovery\n\n
 This concluding panel discussion gather experts in HPC architecture, workf
 low runtime systems, and scientific software engineering to reflect on cro
 ss-domain lessons, best practices, and the future of workflow co-design at
  exascale. The panelists are representative of different solutions for wor
 kflo...\n\n\nFabio Affinito (CINECA), Iacopo Colonnelli (University of Tur
 in), Juan Pablo Dorsch (ETH Zurich / CSCS), Francesc Lordan (Barcelona Sup
 ercomputing Center), and Julian Geiger (Paul Scherrer Institute)\n--------
 -------------\nComplex workflows in materials science: challenges for HPC 
 and FAIR data capture\n\nMaterials science comprises a multitude of differ
 ent techniques, be it experimental sample synthesis, preparation, and char
 acterization or theoretical and computational approaches to model these ex
 perimental observations, providing predictions of new materials and their 
 properties. Workflows for sam...\n\n\nClaudia Draxl (Humboldt-Universität 
 zu Berlin)\n---------------------\nIMPECCABLE: An Integrated Drug Discover
 y Workflow Comprising AI, Physics and Experiment\n\nI describe the IMPECCA
 BLE workflow which runs on Frontier, the world’s first exascale computer. 
 It implements and couples AI and physics-based (PB) methods to perform and
  accelerate a powerful and reliable drug discovery process. It involves sc
 reening, generating and evaluating candidate molec...\n\n\nPeter Coveney (
 University College London)\n---------------------\nHPC Challenges and Pros
 pects in Multi-Scale Geoscience Modeling and Forecasting\n\nEarth dynamics
  are governed by highly complex, multi-scale and often non-linear processe
 s. Despite this complexity, geosciences have achieved breakthroughs in mea
 suring and modeling the earth. Technological advances have boosted data ac
 quisition through high-precision instrumental networks and sophi...\n\n\nL
 ouise Cordrie (CINECA)\n\nDomain: Chemistry and Materials, Climate, Weathe
 r, and Earth Sciences, Life Sciences, Computational Methods and Applied Ma
 thematics\n\nSession Chairs: Fabio Affinito (CINECA), Nur Aiman Fadel (ETH
  Zurich / CSCS), and Filippo Spiga (NVIDIA Inc.)
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