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

Project Information

AQTIVATE

Grant agreement ID: 101072344

DOI

10.3030/101072344

EC signature date 6 July 2022

Start date 1 March 2023

End date 28 February 2027

Funded under

• Marie Skłodowska-Curie Actions (MSCA)

Total cost

No data

EU contribution

€ 3 891 441,60

Coordinated by

UNIVERSITY OF CYPRUS
Cyprus

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

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

Author(s): Kim A. Nicoli; Christopher J. Anders; Tobias Hartung; Karl Jansen; Pan Kessel; Shinichi Nakajima
Published in: Physical Review D, Issue 108, 114501, 2023, ISSN 2470-0029
Publisher: American Physical Society
DOI: 10.48550/arxiv.2302.14082

Investigation of pion-nucleon contributions to nucleon matrix elements

Author(s): Constantia Alexandrou; Giannis Koutsou; Yan Li; Marcus Petschlies; Ferenc Pittler
Published in: Physical Review D, Issue 110, 094514, 2024, ISSN 2470-0029
Publisher: American Physical Society
DOI: 10.48550/arxiv.2408.03893

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

Author(s): Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Published in: PNAS Nexus, Issue Volume 3, Issue 4, April 2024, pgae159, 2024, ISSN 2752-6542
Publisher: Oxford University Press
DOI: 10.48550/ARXIV.2311.05571

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

Author(s): Andrea Rizzi, Davide Mandelli
Published in: Expert Opinion on Drug Discovery, 2025, ISSN 1746-0441
Publisher: 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

Author(s): Giulia Rossetti, Davide Mandelli
Published in: Current Opinion in Structural Biology, Issue 86, 2024, ISSN 0959-440X
Publisher: Elsevier BV
DOI: 10.1016/j.sbi.2024.102814

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

Author(s): K. Zwijsen, A. Marreiros de Freitas, S. Tajfirooz, E. M. A. Frederix, A. H. van Zuijlen
Published in: Physics of Fluids, Issue 36, 2024, ISSN 1070-6631
Publisher: AIP Publishing
DOI: 10.1063/5.0235792

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

Author(s): Constantia Alexandrou; Simone Bacchio; Martha Constantinou; Jacob Finkenrath; Roberto Frezzotti; Bartosz Kostrzewa; Giannis Koutsou; Gregoris Spanoudes; Carsten Urbach
Published in: Physical Review D, Issue 109, 034503, 2024, ISSN 2470-0029
Publisher: Americal Physical Society
DOI: 10.48550/arxiv.2309.05774

Gluon PDF of the proton using twisted mass fermions

Author(s): Joseph Delmar; Constantia Alexandrou; Krzysztof Cichy; Martha Constantinou; Kyriakos Hadjiyiannakou
Published in: Physical Review D, Issue 108, 094515, 2023, ISSN 2470-0029
Publisher: American Physical Society
DOI: 10.48550/arxiv.2310.01389

Conference proceedings (7)

Nucleon Transversity from lattice QCD

Author(s): Alexandrou, Constantia
Published 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

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

International Lattice Data Grid 2.0: Status and Progress

Author(s): Sagar, Basavaraja Bheemalingappa; von Hippel, Georg; Koutsou, Giannis; Matsufuru, Hideo; Pleiter, Dirk; Simma, Hubert; Urbach, Carsten
Published 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

Author(s): Alexandrou, Constantia; Koutsou, Giannis; Li, Yan; Petschlies, Marcus; Pittler, Ferenc
Published 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

Author(s): Christopher J. Anders, Kim Andrea Nicoli, Bingting Wu, Naima Elosegui, Samuele Pedrielli, Lena Funcke, Karl Jansen, Stefan Kuhn and Shinichi Nakajima
Published in: Proceedings of the 41st International Conference on Machine Learning, Issue 63, 2024
Publisher: JMLR.org
DOI: 10.5555/3692070.3692133

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

Author(s): 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
Published 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

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