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CORDIS - Resultados de investigaciones de la UE
CORDIS

Centre of Excellence in exascale-oriented application co-design and delivery for multiscale simulations

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Dissemination and Communication Plan (se abrirá en una nueva ventana)

Description of the communication and dissemination strategy, the activities to be undertaken to achieve this, and KPIs to monitor progress. Dissemination results will be reported in the periodic and final reports.

Exascale pathways for performance portable electrostatics solvers (se abrirá en una nueva ventana)

Report on exascale pathways for performance portable electrostatics solvers and further plans

Report on shared software stack prototype (se abrirá en una nueva ventana)

Intermediate report on development of a stable, shared software stack

Guidelines for Community Outreach, Education, and Training (se abrirá en una nueva ventana)

Template and formatting guidelines for the training content to be provided. Organisational guidelines for CoE events (online, in-person train-the-trainers event, hybrid events with Ambassador support). Documentation of available technical infrastructure.

Project Collaboration Plan (se abrirá en una nueva ventana)

Plan of how MultiXscale will collaborate internally, with the wider EuroHPC ecosystem as well as with associated partners and supporters, with defined common objectives and activities.

Plan for the design of a portable test suite (se abrirá en una nueva ventana)

Plan on how to design a test suite for the shared software stack that can run on a wide range of systems.

Report on the current scalability of ESPResSo and the planned work to extend it (se abrirá en una nueva ventana)
Support portal (se abrirá en una nueva ventana)

Report on alternatives that were considered for support portal and motivated selected solution + working support portal and accompanying documentation.

Community contribution policy and GitHub App (se abrirá en una nueva ventana)

Contribution policy for accepting community contributions to shared software stack and a GitHub App to support this.

Project Data Management Plan (se abrirá en una nueva ventana)

Data management Plan (DMP) to outline how research data will be collected, generated and handled during and after the project.

Publicaciones

Effect of implementations of the N-body problem on the performance and portability across GPU vendors (se abrirá en una nueva ventana)

Autores: Rodrigo A.C. Bartolomeu, Ren Halver, Jan H. Meinke, Godehard Sutmann
Publicado en: Future Generation Computer Systems, 2025, ISSN 0167-739X
Editor: Elsevier BV
DOI: 10.1016/j.future.2025.107802

Towards nonlinear thermohydrodynamic simulations via the Onsager-regularized lattice-Boltzmann method (se abrirá en una nueva ventana)

Autores: null Anonymous
Publicado en: Physical Review Research, 2025, ISSN 2643-1564
Editor: American Physical Society (APS)
DOI: 10.48550/ARXIV.2501.16000

Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model (se abrirá en una nueva ventana)

Autores: Lahrar, El Hassane; Merlet, Céline
Publicado en: Faraday Discussions, 2025, ISSN 1364-5498
Editor: Royal Society of Chemistry, Faraday Society
DOI: 10.48550/ARXIV.2404.17054

Effect of implementations of the N-body problem on the performance and portability across GPU vendors (se abrirá en una nueva ventana)

Autores: Rodrigo A.C. Bartolomeu, René Halver, Jan H. Meinke, Godehard Sutmann
Publicado en: Future Generation Computer Systems, Edición 169, 2025, ISSN 0167-739X
Editor: Elsevier BV
DOI: 10.1016/J.FUTURE.2025.107802

Portable test run of ESPResSo on EuroHPC systems via EESSI (se abrirá en una nueva ventana)

Autores: Alan O'Cais, Kenneth Hoste, Jean-Nol Grad, Caspar van Leeuwen, Lara Peeters, Satish Kamath, Thomas Rblitz, Richard Topouchian, Bob Drge, Pedro Santos Neves, Rudolf Weeber
Publicado en: Procedia Computer Science, Edición 255, 2025, ISSN 1877-0509
Editor: Elsevier BV
DOI: 10.1016/j.procs.2025.02.267

pyMBE: The Python-based molecule builder for ESPResSo (se abrirá en una nueva ventana)

Autores: David Beyer; Paola B. Torres; Sebastian P. Pineda; Claudio F. Narambuena; Jean-Noël Grad; Peter Košovan; Pablo M. Blanco
Publicado en: The Journal of Chemical Physics, Edición Volume 161, Edición 2, 2024, ISSN 1089-7690
Editor: AIP Publishing
DOI: 10.1063/5.0216389

Portable test run of ESPResSo on EuroHPC systems via EESSI (se abrirá en una nueva ventana)

Autores: Alan O'Cais, Kenneth Hoste, Jean-Noël Grad, Caspar van Leeuwen, Lara Peeters, Satish Kamath, Thomas Röblitz, Richard Topouchian, Bob Dröge, Pedro Santos Neves, Rudolf Weeber
Publicado en: Procedia Computer Science, Edición 255, 2025, ISSN 1877-0509
Editor: Elsevier BV
DOI: 10.5281/ZENODO.15312512

Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model (se abrirá en una nueva ventana)

Autores: El Hassane Lahrar; Celine Merlet
Publicado en: Faraday Discussions, 2024, ISSN 1364-5498
Editor: The Royal Society of Chemistry
DOI: 10.1039/D4FD00082J

Book of Abstracts of the 2023 ESPResSo Summer School (se abrirá en una nueva ventana)

Autores: Jean-Nol Grad (editor)
Publicado en: 2023
Editor: Zenodo / Institute for Computational Physics, University of Stuttgart
DOI: 10.5281/zenodo.10443264

Book of Abstracts of the 2024 ESPResSo Summer School (se abrirá en una nueva ventana)

Autores: Jean-Noël Grad (editor)
Publicado en: 2024
Editor: Zenodo / Institute for Computational Physics, University of Stuttgart
DOI: 10.5281/ZENODO.13933146

Preparing to Hit the Ground Running: Adding RISC-V Support to EESSI (se abrirá en una nueva ventana)

Autores: Julián Morillo, Caspar Van Leeuwen, Bob Dröge, Kenneth Hoste, Lara Peeters, Thomas Röblitz, Alan O’Cais
Publicado en: Lecture Notes in Computer Science, High Performance Computing. ISC High Performance 2024 International Workshops, 2024
Editor: Springer Nature Switzerland
DOI: 10.1007/978-3-031-73716-9_21

Assessing the Performance of Portable Programming Models Across GPU Vendors for the N-Body Problem (se abrirá en una nueva ventana)

Autores: Rodrigo A. C. Bartolomeu, René Halver, Jan H. Meinke, Godehard Sutmann
Publicado en: Lecture Notes in Computer Science, Parallel Processing and Applied Mathematics, 2025, ISBN 978-3-031-85700-3
Editor: Springer Nature Switzerland
DOI: 10.1007/978-3-031-85700-3_9

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