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

Informazioni relative al progetto

AQTIVATE

ID dell’accordo di sovvenzione: 101072344

DOI

10.3030/101072344

Data della firma CE 6 Luglio 2022

Data di avvio 1 Marzo 2023

Data di completamento 28 Febbraio 2027

Finanziato da

• Marie Skłodowska-Curie Actions (MSCA)

Costo totale

Nessun dato

Contributo UE

€ 3 891 441,60

Coordinato da

UNIVERSITY OF CYPRUS
Cyprus

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

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.

Pubblicazioni

Peer reviewed articles (8)

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

Autori: Kim A. Nicoli; Christopher J. Anders; Tobias Hartung; Karl Jansen; Pan Kessel; Shinichi Nakajima
Pubblicato in: Physical Review D, Numero 108, 114501, 2023, ISSN 2470-0029
Editore: American Physical Society
DOI: 10.48550/arxiv.2302.14082

Investigation of pion-nucleon contributions to nucleon matrix elements

Autori: Constantia Alexandrou; Giannis Koutsou; Yan Li; Marcus Petschlies; Ferenc Pittler
Pubblicato in: Physical Review D, Numero 110, 094514, 2024, ISSN 2470-0029
Editore: American Physical Society
DOI: 10.48550/arxiv.2408.03893

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

Autori: Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Pubblicato in: PNAS Nexus, Numero Volume 3, Numero 4, April 2024, pgae159, 2024, ISSN 2752-6542
Editore: Oxford University Press
DOI: 10.48550/ARXIV.2311.05571

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

Autori: Andrea Rizzi, Davide Mandelli
Pubblicato in: Expert Opinion on Drug Discovery, 2025, ISSN 1746-0441
Editore: 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

Autori: Giulia Rossetti, Davide Mandelli
Pubblicato in: Current Opinion in Structural Biology, Numero 86, 2024, ISSN 0959-440X
Editore: Elsevier BV
DOI: 10.1016/j.sbi.2024.102814

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

Autori: K. Zwijsen, A. Marreiros de Freitas, S. Tajfirooz, E. M. A. Frederix, A. H. van Zuijlen
Pubblicato in: Physics of Fluids, Numero 36, 2024, ISSN 1070-6631
Editore: AIP Publishing
DOI: 10.1063/5.0235792

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

Autori: Constantia Alexandrou; Simone Bacchio; Martha Constantinou; Jacob Finkenrath; Roberto Frezzotti; Bartosz Kostrzewa; Giannis Koutsou; Gregoris Spanoudes; Carsten Urbach
Pubblicato in: Physical Review D, Numero 109, 034503, 2024, ISSN 2470-0029
Editore: Americal Physical Society
DOI: 10.48550/arxiv.2309.05774

Gluon PDF of the proton using twisted mass fermions

Autori: Joseph Delmar; Constantia Alexandrou; Krzysztof Cichy; Martha Constantinou; Kyriakos Hadjiyiannakou
Pubblicato in: Physical Review D, Numero 108, 094515, 2023, ISSN 2470-0029
Editore: American Physical Society
DOI: 10.48550/arxiv.2310.01389

Conference proceedings (7)

Nucleon Transversity from lattice QCD

Autori: Alexandrou, Constantia
Pubblicato in: 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

Autori: Ankur Singha, Elia Cellini, Kim Andrea Nicoli, Karl Jansen, Stefan Kühn, Shinichi Nakajima
Pubblicato in: Thirteenth International Conference on Learning Representations (ICLR 2025), 2025
Editore: Curran Associates, Inc.

International Lattice Data Grid 2.0: Status and Progress

Autori: Sagar, Basavaraja Bheemalingappa; von Hippel, Georg; Koutsou, Giannis; Matsufuru, Hideo; Pleiter, Dirk; Simma, Hubert; Urbach, Carsten
Pubblicato in: 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

Autori: Alexandrou, Constantia; Koutsou, Giannis; Li, Yan; Petschlies, Marcus; Pittler, Ferenc
Pubblicato in: 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

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

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

Autori: 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
Pubblicato in: 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

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