Advanced computing, quantum algorithms, and data-driven approaches for science, technology and engineering

Informations projet

AQTIVATE

N° de convention de subvention: 101072344

DOI

10.3030/101072344

Date de signature de la CE 6 Juillet 2022

Date de début 1 Mars 2023

Date de fin 28 Février 2027

Financé au titre de

• Marie Skłodowska-Curie Actions (MSCA)

Coût total

Aucune donnée

Contribution de l’UE

€ 3 891 441,60

Coordonné par

UNIVERSITY OF CYPRUS
Cyprus

CORDIS fournit des liens vers les livrables publics et les publications des projets HORIZON.

Les liens vers les livrables et les publications des projets du 7e PC, ainsi que les liens vers certains types de résultats spécifiques tels que les jeux de données et les logiciels, sont récupérés dynamiquement sur OpenAIRE .

Livrables

Websites, patent fillings, videos etc. (2)

Website

A fully functioning project website, to be updated throughout AQTIVATE

Online application system

A fully functioning online application and registration system, including all informationrequired by applicants.

Documents, reports (3)

Network-wide training

The PCDPs of the ESRs.

AQTIVATE branding

An AQTIVATE logo, presentation templates, outreach material, and social media handles

Development of equivariant flows

Report on effectiveness of equivariant flows in the simulations of φ^4 and Schwingermodels, including a volume scalability analysis.

Data Management Plan (1)

Data management plan

A plan outlining the actions for ensuring FAIRness of the AQTIVATE data produced.

Publications

Peer reviewed articles (8)

Detecting and mitigating mode-collapse for flow-based sampling of lattice field theories

Auteurs: Kim A. Nicoli; Christopher J. Anders; Tobias Hartung; Karl Jansen; Pan Kessel; Shinichi Nakajima
Publié dans: Physical Review D, Numéro 108, 114501, 2023, ISSN 2470-0029
Éditeur: American Physical Society
DOI: 10.48550/arxiv.2302.14082

Investigation of pion-nucleon contributions to nucleon matrix elements

Auteurs: Constantia Alexandrou; Giannis Koutsou; Yan Li; Marcus Petschlies; Ferenc Pittler
Publié dans: Physical Review D, Numéro 110, 094514, 2024, ISSN 2470-0029
Éditeur: American Physical Society
DOI: 10.48550/arxiv.2408.03893

Effective data-driven collective variables for free energy calculations from metadynamics of paths

Auteurs: Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Publié dans: PNAS Nexus, Numéro Volume 3, Numéro 4, April 2024, pgae159, 2024, ISSN 2752-6542
Éditeur: Oxford University Press
DOI: 10.48550/ARXIV.2311.05571

High performance-oriented computer aided drug design approaches in the exascale era

Auteurs: Andrea Rizzi, Davide Mandelli
Publié dans: Expert Opinion on Drug Discovery, 2025, ISSN 1746-0441
Éditeur: Informa UK Limited
DOI: 10.1080/17460441.2025.2468289

How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms

Auteurs: Giulia Rossetti, Davide Mandelli
Publié dans: Current Opinion in Structural Biology, Numéro 86, 2024, ISSN 0959-440X
Éditeur: Elsevier BV
DOI: 10.1016/j.sbi.2024.102814

An optimized anisotropic pressure fluctuation model for the simulation of turbulence-induced vibrations

Auteurs: K. Zwijsen, A. Marreiros de Freitas, S. Tajfirooz, E. M. A. Frederix, A. H. van Zuijlen
Publié dans: Physics of Fluids, Numéro 36, 2024, ISSN 1070-6631
Éditeur: AIP Publishing
DOI: 10.1063/5.0235792

Nucleon axial and pseudoscalar form factors using twisted-mass fermion ensembles at the physical point

Auteurs: Constantia Alexandrou; Simone Bacchio; Martha Constantinou; Jacob Finkenrath; Roberto Frezzotti; Bartosz Kostrzewa; Giannis Koutsou; Gregoris Spanoudes; Carsten Urbach
Publié dans: Physical Review D, Numéro 109, 034503, 2024, ISSN 2470-0029
Éditeur: Americal Physical Society
DOI: 10.48550/arxiv.2309.05774

Gluon PDF of the proton using twisted mass fermions

Auteurs: Joseph Delmar; Constantia Alexandrou; Krzysztof Cichy; Martha Constantinou; Kyriakos Hadjiyiannakou
Publié dans: Physical Review D, Numéro 108, 094515, 2023, ISSN 2470-0029
Éditeur: American Physical Society
DOI: 10.48550/arxiv.2310.01389

Conference proceedings (7)

Nucleon Transversity from lattice QCD

Auteurs: Alexandrou, Constantia
Publié dans: Proceedings of 7th International Workshop on “Transverse phenomena in hard processes and the transverse structure of the proton — PoS(Transversity2024), 2024
DOI: 10.48550/ARXIV.2408.14370

Multilevel Generative Samplers for Investigating Critical Phenomena

Auteurs: Ankur Singha, Elia Cellini, Kim Andrea Nicoli, Karl Jansen, Stefan Kühn, Shinichi Nakajima
Publié dans: Thirteenth International Conference on Learning Representations (ICLR 2025), 2025
Éditeur: Curran Associates, Inc.

International Lattice Data Grid 2.0: Status and Progress

Auteurs: Sagar, Basavaraja Bheemalingappa; von Hippel, Georg; Koutsou, Giannis; Matsufuru, Hideo; Pleiter, Dirk; Simma, Hubert; Urbach, Carsten
Publié dans: Proceedings of The 41st International Symposium on Lattice Field Theory — PoS(LATTICE2024), 2025
DOI: 10.3204/PUBDB-2025-00532

Investigation of two-particle contributions to nucleon matrix elements

Auteurs: Alexandrou, Constantia; Koutsou, Giannis; Li, Yan; Petschlies, Marcus; Pittler, Ferenc
Publié dans: Proceedings of The 40th International Symposium on Lattice Field Theory — PoS(LATTICE2023), 2024
DOI: 10.48550/ARXIV.2312.15737

Adaptive Observation Cost Control for Variational Quantum Eigensolvers

Auteurs: Christopher J. Anders, Kim Andrea Nicoli, Bingting Wu, Naima Elosegui, Samuele Pedrielli, Lena Funcke, Karl Jansen, Stefan Kuhn and Shinichi Nakajima
Publié dans: Proceedings of the 41st International Conference on Machine Learning, Numéro 63, 2024
Éditeur: JMLR.org
DOI: 10.5555/3692070.3692133

Quark and gluon momentum fractions in the pion and in the kaon

Auteurs: Alexandrou, Constantia; Bacchio, Simone; Constantinou, Martha; Delmar, Joseph; Finkenrath, Jacob; Kostrzewa, Bartosz; Petschlies, Marcus; Chacon, Luis Alberto Rodriguez; Spanoudes, Gregoris; Steffens, Fernanda; Urbach, Carsten; Wenger, Urs
Publié dans: Proceedings of The 41st International Symposium on Lattice Field Theory — PoS(LATTICE2024), 2025
DOI: 10.1103/PHYSREVLETT.134.131902

Physics-Informed Bayesian Optimization of Variational Quantum Circuits

Auteurs: Kim Nicoli, Christopher J. Anders, Lena Funcke, Tobias Hartung, Karl Jansen, Stefan Kühn, Klaus-Robert Müller, Paolo Stornati, Pan Kessel, Shinichi Nakajima
Publié dans: Advances in Neural Information Processing Systems 36 (NeurIPS 2023), 2023
Éditeur: Curran Associates Inc.57 Morehouse LaneRed HookNYUnited States