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
This report tracks the impact of the overall project, as defined in the communication plan T6.2–4.
Second report on software architecture and implementation planning (se abrirá en una nueva ventana)The report will review the progress and the effectiveness of the actions outlined in D1.1 (T1.1,T1.2,T1.4). We will provide an update of the plan, possible needed changes for already planned actions, and the details and timelines for T1.3 actions.
Update of collaboration plan (month 12) (se abrirá en una nueva ventana)Update on the available applications and different version deployed via the common platform as annex of the management report.
First Co-design report (se abrirá en una nueva ventana)Report the requirements of MAX flagship applications, first experiments and performance results. First set of recommendations to application developers and technology providers (T4.1).
Second update of collaboration plan (M30) (se abrirá en una nueva ventana)Second update on the available applications and different version deployed via the common platform as annex of the management report.
Revised Data Management Plan (se abrirá en una nueva ventana)Revised Data Management Plan for the MAX CoE (T7.1).
Report on energy consumption evaluation (se abrirá en una nueva ventana)Report on the first evaluation of the energy consumption of the MAX applications on selected hardware (T4.3).
First report on MAX training events (se abrirá en una nueva ventana)Report on the training activities (months 1-24), including data on users participation and involvement, and updated Training programme. T5.1 – 5.3.
Report on the exascale metascheduler. (se abrirá en una nueva ventana)Interim report on the status of development and implementation of the HYPERQUEUE metascheduler (T2.2).
Interim report on performance analysis of MAX software (se abrirá en una nueva ventana)The report focuses the evaluation of the scalability and the performance analysis of MAX codes and workflows, including a description of the status of deployment onEuroHPC machines (T3.1, T3.4).
Report on the setup of the MAX CoE (se abrirá en una nueva ventana)Report describing the setup of the CoE infrastructure, including governing bodies, KPIs, and internal services (T7.1).
Advanced Technologies Monitor (se abrirá en una nueva ventana)Report giving an overview of interesting technologies that are coming up in the time-frame of MAX, which could be of benefit for the project’s applications, and describing the strategies to get access to these technologies (T4.2).
Data Management Plan (se abrirá en una nueva ventana)Data Management Plan (DMP) for the MAX CoE (T7.1).
MAX communication, exploitation, and dissemination Plan (se abrirá en una nueva ventana)Reference document to guide the dissemination, communication and exploitation of the MAX project objectives, results and assets T6.1–5.
First report on exascale workflow infrastructure and demonstrators (se abrirá en una nueva ventana)First report on the development and implementation of the infrastructure required by exascale workflows, including AIIDA, HYPERQUEUE, code interoperability, and demonstrators (T2.1–T2.6).
MAX communication, exploitation, and dissemination Plan – Final version (se abrirá en una nueva ventana)Updated version of the reference document to guide the dissemination, communication and exploitation of the MAX project objectives, results and assets T6.1–5.
Training and Education Programme (se abrirá en una nueva ventana)Structured plan of the MAX training offer addressed to new generation of developers and users. Development of a specific section of the CoE portal containing the available training materials. T5.1 - 5.3
Code interoperability (se abrirá en una nueva ventana)Report on the design and first implementation of code interoperability; code release for M30 in D1.4 (T2.4).
Interim report on MAX management (se abrirá en una nueva ventana)The report covers MAX management actions, KPIs, and initiatives towards gender equality & inclusivity (T7.2–T7.4).
First report on software architecture and implementation planning (se abrirá en una nueva ventana)Identifies and plans the refactoring actions on each code for the implementation of the lighthouse applications. Provides details and timelines for tasks T1.1, T1.2 and T1.4.
Exascale workflow design (se abrirá en una nueva ventana)Report on the design, architecture, implementation and development plan for exascale workflows, according to T2.1.
Collaboration plan with definition of common objectives and activities including milestones (se abrirá en una nueva ventana)The report covers MAX activities implemented in collaboration with complimentary projects and the respective CSA Castiel 2 (GA 101102047) (T7.1–T7.4).
The report focuses on the progress of the work on advanced programming models, T3.2.
First release of MAX software: report on performed and planned refactoring (se abrirá en una nueva ventana)First release of the lighthouse codes. The report will illustrate the general status of the codes; with focus on T1.1 achievements in enabling the execution of standard HPC scientific cases, and T1.2 progress in enabling massive parallel runs.
Second release of MAX software: report on lighthouse codes’ deployment at exascale (se abrirá en una nueva ventana)Second official release of MAX codes. (T1.1-4). Releases featuring demonstration of the new exascale capabilities in the lighthouse codes.
FAIR data, reproducibility, and provenance (se abrirá en una nueva ventana)Report and deployment of the MAX model for FAIR data, reproducibility and provenance of Task T2.6.
Interim report on system middleware for workflows and resilience (se abrirá en una nueva ventana)The report focuses on the progress of the work on system middleware for workflows and resilience, T3.3.
Publicaciones
Autores:
Zanfrognini, Matteo; Plaud, Alexandre; Stenger, Ingrid; Fossard, Frédéric; Sponza, Lorenzo; Schué, Léonard; Paleari, Fulvio; Molinari, Elisa; Varsano, Daniele; Wirtz, Ludger; Ducastelle, François; Loiseau, Annick; Barjon, Julien
Publicado en:
Phys. Rev. Lett., Edición 131, 2023, ISSN 1079-7114
Editor:
Amerocan Physical Society
DOI:
10.1103/PHYSREVLETT.131.206902
Autores:
Grima Torres, Rogeli; Vizcaíno, Pablo; Mantovani, Filippo; Gutiérrez Moreno, José Julio
Publicado en:
Open Research Europe, 2024, ISSN 2732-5121
Editor:
European Commission
DOI:
10.12688/OPENRESEUROPE.18321.1
Autores:
E. Drigo and S. Baroni
Publicado en:
J. Chem. Theory Comput., Edición 19, 23, 8855–8860, 2023, ISSN 2210-271X
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.3c00760
Autores:
Enrico Drigo, Stefano Baroni, Paolo Pegolo
Publicado en:
Journal of Chemical Theory and Computation, Edición 20, 2024, ISSN 1549-9618
Editor:
American Chemical Society (ACS)
DOI:
10.1021/ACS.JCTC.4C00124
Autores:
Paolo Pegolo, Federico Grasselli
Publicado en:
Frontiers in Materials, Edición 11, 2024, ISSN 2296-8016
Editor:
Frontiers Media SA
DOI:
10.3389/FMATS.2024.1369034
Autores:
Alfredo Fiorentino; Enrico Drigo; Stefano Baroni; Paolo Pegolo
Publicado en:
Physical Review B, 2024, ISSN 2469-9969
Editor:
American Physical Society
DOI:
10.48550/ARXIV.2307.09370
Autores:
P. Delugas, O. Baseggio, I. Timrov, S. Baroni, and T. Gorni
Publicado en:
Phys. Rev. B, Edición 107, 214452, 2023, ISSN 2469-9969
Editor:
APS
DOI:
10.1103/PHYSREVB.107.214452
Autores:
Jorge Cervantes-Villanueva, Fulvio Paleari, Alberto García-Cristóbal, Davide Sangalli, Alejandro Molina-Sánchez
Publicado en:
Physical Review B, Edición 109, 2024, ISSN 2469-9950
Editor:
American Physical Society (APS)
DOI:
10.1103/PHYSREVB.109.155133
Autores:
Lorenzo Bastonero, Cristiano Malica, Eric Macke, Marnik Bercx, Sebastiaan Huber, Iurii Timrov, Nicola Marzari
Publicado en:
npj Computational Materials, Edición 11, 2025, ISSN 2057-3960
Editor:
Springer Science and Business Media LLC
DOI:
10.1038/S41524-025-01685-4
Autores:
X. Gong, A. Dal Corso
Publicado en:
The Journal of Chemical Physics, Edición 162, 2025, ISSN 0021-9606
Editor:
AIP Publishing
DOI:
10.1063/5.0258989
Autores:
Xuejun Gong, Andrea Dal Corso
Publicado en:
Journal of Physics: Condensed Matter, Edición 36, 2024, ISSN 0953-8984
Editor:
IOP Publishing
DOI:
10.1088/1361-648X/AD3AC3
Autores:
X. Gong; A. Dal Corso
Publicado en:
The Journal of Chemical Physics, 2024, ISSN 1089-7690
Editor:
AIP Publishing
DOI:
10.48550/ARXIV.2406.16634
Autores:
Malosso, Cesare; Manko, Natalia; Izzo, Maria Grazia; Baroni, Stefano; Hassanali, Ali
Publicado en:
Proceedings of the National Academy of Sciences, 2024, ISSN 1091-6490
Editor:
PNAS
DOI:
10.48550/ARXIV.2404.08338
Autores:
Florian Pabst, Stefano Baroni
Publicado en:
Physical Review E, Edición 111, 2025, ISSN 2470-0045
Editor:
American Physical Society (APS)
DOI:
10.1103/PHYSREVE.111.L023401
Autores:
Qiushi Deng; José María Castillo-Robles; Ernane de Freitas Martins; Pablo Ordejón; Jan-Niclas Gorges; Philipp Eiden; Xiao-Bo Chen; Patrick Keil; Ivan Cole
Publicado en:
Molecular Systems Design & Engineering, 2024, ISSN 2058-9689
Editor:
the Royal Society of Chemistry
DOI:
10.1039/D3ME00153A
Autores:
Ruffino, Fabrizio Ferrari; Bellentani, Laura; Rossi, Giacomo; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Delugas, Pietro; Giannozzi, Paolo; Kurzak, Jakub; Luo, Ye; O'Reilly, Ossian; Orlandini, Sergio; Carnimeo, Ivan
Publicado en:
Procedia Computer Science, 2024, ISSN 1877-0509
Editor:
Elsevier
DOI:
10.1016/J.PROCS.2024.07.008
Autores:
R. Reho; N. Wittemeier; A. H. Kole; P. Ordejón; Z. Zanolli
Publicado en:
Physical Review B, 2024, ISSN 2469-9969
Editor:
American Physical Society
DOI:
10.48550/ARXIV.2406.02022
Autores:
A. Fiorentino, P. Pegolo, and S. Baroni
Publicado en:
npj Computational Materials, Edición 9, 157, 2023, ISSN 2057-3960
Editor:
Springer Nature
DOI:
10.48550/arXiv.2303.07010
Autores:
Pol Febrer, Peter Bjørn Jørgensen, Miguel Pruneda, Alberto García, Pablo Ordejón, Arghya Bhowmik
Publicado en:
Machine Learning: Science and Technology, Edición 6, 2025, ISSN 2632-2153
Editor:
IOP Publishing
DOI:
10.1088/2632-2153/ADC871
Autores:
T. Gorni, O. Baseggio, P. Delugas, I. Timrov, and S. Baroni
Publicado en:
Phys. Rev. B, Edición 107, 2023, ISSN 2469-9950
Editor:
American Physical Society
DOI:
10.1103/PHYSREVB.107.L220410
Autores:
Michael A. Hernandez Bertran, Diana Zapata Dominguez, Christopher L. Berhaut, Samuel Tardif, Alessandro Longo, Christoph J. Sahle, Chiara Cavallari, Emmanuelle de Clermont Gallerande, Ivan Marri, Nathalie Herlin-Boime, Elisa Molinari, Stéphanie Pouget, Deborah Prezzi, Sandrine Lyonnard
Publicado en:
Chemistry of Materials, Edición 37, 2025, ISSN 0897-4756
Editor:
American Chemical Society (ACS)
DOI:
10.1021/ACS.CHEMMATER.4C03366
Autores:
Cristiano Malica, Kostya S Novoselov, Amanda S Barnard, Sergei V Kalinin, Steven R Spurgeon, Karsten Reuter, Maite Alducin, Volker L Deringer, Gábor Csányi, Nicola Marzari, Shirong Huang, Gianaurelio Cuniberti, Qiushi Deng, Pablo Ordejón, Ivan Cole, Kamal Choudhary, Kedar Hippalgaonkar, Ruiming Zhu, O Anatole von Lilienfeld, Mohamed Hibat-Allah, Juan Carrasquilla, Giulia Cisotto, Alberto Zancanaro, Wolfgang Wenzel, Andrea C Ferrari, Andrey Ustyuzhanin, Stephan Roche
Publicado en:
Journal of Physics: Materials, Edición 8, 2025, ISSN 2515-7639
Editor:
IOP Publishing
DOI:
10.1088/2515-7639/ADC29D
Autores:
A. Guandalini, P. D'Amico, A. Ferretti, and D. Varsano
Publicado en:
npj Computational Materials, Edición 9, 44, 2023, ISSN 2469-9950
Editor:
American Physical Society
DOI:
10.48550/arXiv.2205.11946
Autores:
Paolo Pegolo; Enrico Drigo; Federico Grasselli; Stefano Baroni
Publicado en:
The Journal of Chemical Physics, 2025, ISSN 1089-7690
Editor:
AIP Publishing
DOI:
10.1063/5.0249677
Autores:
P. Pegolo, S. Baroni, and F. Grasselli
Publicado en:
Journal of Chemical Physics, Edición 159, 094116, 2023, ISSN 0021-9606
Editor:
American Institute of Physics Inc.
DOI:
10.1063/5.0169474
Autores:
M. G. Betti a, D. Marchiani, A. Tonelli, M. Sbroscia, E. Blundo, M. De Luca, A. Polimeni, R. Frisenda, C. Mariani, S. Jeong, Y. Ito, N. Cavani, R. Biagi, P. N.O. Gillespie, M. A. Hernandez Bertran, M. Bonacci, E. Molinari, V. De Renzi, and D. Prezzi
Publicado en:
Carbon Trends, Edición 12, 100274, 2023, ISSN 2667-0569
Editor:
Elsevier Ltd
DOI:
10.1016/j.cartre.2023.100274
Autores:
M. Bonacci, J. Qiao, N. Spallanzani, A. Marrazzo, G. Pizzi, E. Molinari, D. Varsano, A. Ferretti, and D. Prezzi
Publicado en:
npj Comput Mater, Edición 9, 74, 2023, ISSN 2057-3960
Editor:
Springer Nature
DOI:
10.48550/arXiv.2301.06407
Autores:
Xuejun Gong, Andrea Dal Corso
Publicado en:
Computer Physics Communications, Edición 308, 2025, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/J.CPC.2024.109439
Autores:
Tommaso Chiarotti; Andrea Ferretti; Nicola Marzari
Publicado en:
Physical Review Research, 2024, ISSN 2643-1564
Editor:
American Physical Society
DOI:
10.48550/ARXIV.2302.12193
Autores:
E. B. Linscott, N. Colonna, R. De Genanro, N. L. Nguyen, G. Borghi, and A. Ferretti
Publicado en:
J. of Chem. Theory and Computation, Edición 19, 20, 7097–7111, 2023, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/ACS.JCTC.3C00652
Autores:
E. Drigo, M. G. Izzo, and S. Baroni
Publicado en:
J. Chem. Phys., Edición 159, 2023, ISSN 1089-7690
Editor:
AIP
DOI:
10.1063/5.0168732
Autores:
Valentina Gosetti, Jorge Cervantes-Villanueva, Davide Sangalli, Alejandro Molina-Sánchez, Vadim F. Agekyan, Claudio Giannetti, Luigi Sangaletti, Selene Mor, Stefania Pagliara
Publicado en:
ACS Photonics, Edición 11, 2024, ISSN 2330-4022
Editor:
American Chemical Society (ACS)
DOI:
10.1021/ACSPHOTONICS.4C00520
Autores:
P. Lechifflart, F. Paleari, D. Sangalli, and C. Attaccalite
Publicado en:
Phys. Rev. Materials, Edición 7, 024006, 2023, ISSN 2475-9953
Editor:
APS
DOI:
10.1103/PHYSREVMATERIALS.7.024006
Autores:
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni, Davide Donadio
Publicado en:
Physical Review B, Edición 111, 2025, ISSN 2469-9950
Editor:
American Physical Society (APS)
DOI:
10.1103/PHYSREVB.111.134205
Autores:
Alberto Guandalini, Dario A. Leon, Pino D'Amico, Claudia Cardoso, Andrea Ferretti, Massimo Rontani, Daniele Varsano
Publicado en:
Physical Review B, Edición 109, 2024, ISSN 2469-9950
Editor:
American Physical Society (APS)
DOI:
10.1103/PHYSREVB.109.075120
Autores:
M. Zanfrognini, M. Bonacci, F. Paleari, E. Molinari, A. Ruini, A. Ferretti, M. J. Caldas, and D. Varsano
Publicado en:
Phys. Rev. Materials, Edición 7, 064006, 2023, ISSN 2475-9953
Editor:
American Physical Society
DOI:
10.48550/arXiv.2302.09261
Autores:
Cardoso, C.; Costa, A. T.; MacDonald, A. H.; Fernández-Rossier, J.
Publicado en:
Phys. Rev. B, Edición 108, 184423, 2023, ISSN 2469-9969
Editor:
APS
DOI:
10.1103/PHYSREVB.108.184423
Autores:
Alberto Guandalini; Ryosuke Senga; Yung-Chang Lin; Kazu Suenaga; Andrea Ferretti; Daniele Varsano; Andrea Recchia; Paolo Barone; Francesco Mauri; Thomas Pichler; Christian Kramberger
Publicado en:
Nano Lett., Edición 23, 24, 11835–11841, 2023, ISSN 1530-6992
Editor:
ACS
DOI:
10.1021/acs.nanolett.3c03863
Autores:
Leon, Dario A.; Ferretti, Andrea; Varsano, Daniele; Molinari, Elisa; Cardoso, Claudia
Publicado en:
Physical Review B, Edición 107, 155130, 2023, ISSN 2469-9969
Editor:
APS
DOI:
10.1103/PhysRevB.107.155130
Autores:
Volker Blum, Ryoji Asahi, Jochen Autschbach, Christoph Bannwarth, Gustav Bihlmayer, Stefan Blügel, Lori A Burns, T Daniel Crawford, William Dawson, Wibe Albert de Jong, Claudia Draxl, Claudia Filippi, Luigi Genovese, Paolo Giannozzi, Niranjan Govind, Sharon Hammes-Schiffer, Jeff R Hammond, Benjamin Hourahine, Anubhav Jain, Yosuke Kanai, Paul R C Kent, Ask Hjorth Larsen, Susi Lehtola, Xiaosong Li, Roland Lindh, Satoshi Maeda, Nancy Makri, Jonathan Moussa, Takahito Nakajima, Jessica A Nash, Micael J T Oliveira, Pansy D Patel, Giovanni Pizzi, Geoffrey Pourtois, Benjamin P Pritchard, Eran Rabani, Markus Reiher, Lucia Reining, Xinguo Ren, Mariana Rossi, H Bernhard Schlegel, Nicola Seriani, Lyudmila V Slipchenko, Alexander Thom, Edward F Valeev, Benoit Van Troeye, Lucas Visscher, Vojtěch Vlček, Hans-Joachim Werner, David B Williams-Young, Theresa L. Windus
Publicado en:
Electronic Structure, Edición 6, 2024, ISSN 2516-1075
Editor:
IOP Publishing
DOI:
10.1088/2516-1075/AD48EC
Autores:
I. Carnimeo, F. Affinito, S. Baroni, O. Baseggio, L. Bellentani, R. Bertossa, P. D. Delugas, F. Ferrari Ruffino, S. Orlandini, F. Spiga, and P. Giannozzi
Publicado en:
J. Chem. Theory Comput., Edición 19, 20, 6992–7006, 2023, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.3c00249
Autores:
C. J. Sayers, A. Genco, C. Trovatello, S. Dal Conte, V. O. Khaustov, J. Cervantes-Villanueva, D. Sangalli, A. Molina-Sanchez, C. Coletti, C. Gadermaier, and G. Cerullo
Publicado en:
Nano Lett., Edición 23, 20, 9235–9242, 2023, ISSN 1530-6992
Editor:
ACS
DOI:
10.1021/ACS.NANOLETT.3C01936
Autores:
R. Reho, A. R. Botello-Méndez, D. Sangalli, M. J. Verstraete, Zeila Zanolli
Publicado en:
Physical Review B, Edición 110, 2024, ISSN 2469-9950
Editor:
American Physical Society (APS)
DOI:
10.1103/PHYSREVB.110.035118
Autores:
Lubomir Riha, Ada Böhm, Ondrej Vysocky, Filip Vaverka, Elisabetta Boella, Daniele Gregori, Mattia Paladino, Pietro Delugas, Oscar Baseggio, Stefano Baroni, Francesco Andreucci, Kaveh Haghighi Mood, Andreas Herten, Gregor Michalicek, Daniel Wortmann, Stefan Blügel, Pablo Ordejon, Federico N. Pedron, Jose Julio Gutierrez Moreno, Rogeli Grima Torres, Fabio Affinito, Mariella Ippolito, Paolo Giannozzi, Luigi Genovese, Fabrizio Ferrari Ruffino, Ivan Carnimeo, Marc Sergent, Erwan Raffin, Ivan Girotto, Alberto Garcia, Jan Jona Javoršek, Barbara Krašovec, Alja Prah, Sebastien Strban, Augustin Degomme, Cristiano Malica, Lorenzo Bastonero, Nicola Marzari, Nicola Spallanzani, Daniele Varsano, Andrea Ferretti, Elisa Molinari
Publicado en:
Proceedings of the 22nd ACM International Conference on Computing Frontiers: Workshops and Special Sessions, 2025
Editor:
ACM
DOI:
10.1145/3706594.3727577
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