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

Información del proyecto

AQTIVATE

Identificador del acuerdo de subvención: 101072344

DOI

10.3030/101072344

Fecha de la firma de la CE 6 Julio 2022

Fecha de inicio 1 Marzo 2023

Fecha de finalización 28 Febrero 2027

Financiado con arreglo a

• Marie Skłodowska-Curie Actions (MSCA)

Coste total

Sin datos

Aportación de la UE

€ 3 891 441,60

Coordinado por

UNIVERSITY OF CYPRUS
Cyprus

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

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.

Publicaciones

Peer reviewed articles (8)

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

Autores: Kim A. Nicoli; Christopher J. Anders; Tobias Hartung; Karl Jansen; Pan Kessel; Shinichi Nakajima
Publicado en: Physical Review D, Edición 108, 114501, 2023, ISSN 2470-0029
Editor: American Physical Society
DOI: 10.48550/arxiv.2302.14082

Investigation of pion-nucleon contributions to nucleon matrix elements

Autores: Constantia Alexandrou; Giannis Koutsou; Yan Li; Marcus Petschlies; Ferenc Pittler
Publicado en: Physical Review D, Edición 110, 094514, 2024, ISSN 2470-0029
Editor: American Physical Society
DOI: 10.48550/arxiv.2408.03893

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

Autores: Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Publicado en: PNAS Nexus, Edición Volume 3, Edición 4, April 2024, pgae159, 2024, ISSN 2752-6542
Editor: Oxford University Press
DOI: 10.48550/ARXIV.2311.05571

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

Autores: Andrea Rizzi, Davide Mandelli
Publicado en: Expert Opinion on Drug Discovery, 2025, ISSN 1746-0441
Editor: 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

Autores: Giulia Rossetti, Davide Mandelli
Publicado en: Current Opinion in Structural Biology, Edición 86, 2024, ISSN 0959-440X
Editor: Elsevier BV
DOI: 10.1016/j.sbi.2024.102814

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

Autores: K. Zwijsen, A. Marreiros de Freitas, S. Tajfirooz, E. M. A. Frederix, A. H. van Zuijlen
Publicado en: Physics of Fluids, Edición 36, 2024, ISSN 1070-6631
Editor: AIP Publishing
DOI: 10.1063/5.0235792

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

Autores: Constantia Alexandrou; Simone Bacchio; Martha Constantinou; Jacob Finkenrath; Roberto Frezzotti; Bartosz Kostrzewa; Giannis Koutsou; Gregoris Spanoudes; Carsten Urbach
Publicado en: Physical Review D, Edición 109, 034503, 2024, ISSN 2470-0029
Editor: Americal Physical Society
DOI: 10.48550/arxiv.2309.05774

Gluon PDF of the proton using twisted mass fermions

Autores: Joseph Delmar; Constantia Alexandrou; Krzysztof Cichy; Martha Constantinou; Kyriakos Hadjiyiannakou
Publicado en: Physical Review D, Edición 108, 094515, 2023, ISSN 2470-0029
Editor: American Physical Society
DOI: 10.48550/arxiv.2310.01389

Conference proceedings (7)

Nucleon Transversity from lattice QCD

Autores: Alexandrou, Constantia
Publicado en: 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

Autores: Ankur Singha, Elia Cellini, Kim Andrea Nicoli, Karl Jansen, Stefan Kühn, Shinichi Nakajima
Publicado en: Thirteenth International Conference on Learning Representations (ICLR 2025), 2025
Editor: Curran Associates, Inc.

International Lattice Data Grid 2.0: Status and Progress

Autores: Sagar, Basavaraja Bheemalingappa; von Hippel, Georg; Koutsou, Giannis; Matsufuru, Hideo; Pleiter, Dirk; Simma, Hubert; Urbach, Carsten
Publicado en: 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

Autores: Alexandrou, Constantia; Koutsou, Giannis; Li, Yan; Petschlies, Marcus; Pittler, Ferenc
Publicado en: 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

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

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

Autores: 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
Publicado en: 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

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