Controlling spin properties of molecules with quantum fields: ab-initio methodologies for spin polaritons

Project Information

QED-Spin

Grant agreement ID: 101040197

DOI

10.3030/101040197

EC signature date 3 December 2022

Start date 1 June 2023

End date 31 May 2028

Funded under

• European Research Council (ERC)

Total cost

€ 1 499 754,00

EU contribution

€ 1 499 754,00

Coordinated by

UNIVERSITA DEGLI STUDI DI PERUGIA
Italy

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 .

Publications

Peer reviewed articles (16)

A Comprehensive Theory for Relativistic Polaritonic Chemistry: A Four-Component Ab Initio Treatment of Molecular Systems Coupled to Quantum Fields

Author(s): Guillaume Thiam, Riccardo Rossi, Henrik Koch, Leonardo Belpassi, Enrico Ronca
Published in: JACS Au, Issue 5, 2025, ISSN 2691-3704
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Strong Coupling to Circularly Polarized Photons: Toward Cavity-Induced Enantioselectivity

Author(s): Rosario R. Riso, Enrico Ronca, Henrik Koch
Published in: The Journal of Physical Chemistry Letters, Issue 15, 2024, ISSN 1948-7185
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Strong coupling electron-photon dynamics: A real-time investigation of energy redistribution in molecular polaritons

Author(s): Matteo Castagnola, Marcus T. Lexander, Enrico Ronca, Henrik Koch
Published in: Physical Review Research, Issue 6, 2024, ISSN 2643-1564
Publisher: American Physical Society (APS)
DOI: 10.5281/ZENODO.15992606

Two-Dimensional Moiré Polaronic Electron Crystals

Author(s): Eric A. Arsenault, Yiliu Li, Birui Yang, Xi Wang, Heonjoon Park, Edoardo Mosconi, Enrico Ronca, Takashi Taniguchi, Kenji Watanabe, Daniel Gamelin, Andrew Millis, Cory R. Dean, Filippo de Angelis, Xiaodong Xu, and X. Y. Zhu
Published in: Physical Review Letters, Issue 132, 2024, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.5281/ZENODO.15992606

A Complete Active Space Self-Consistent Field Approach for Molecules in QED Environments

Author(s): Riccardo Alessandro, Matteo Castagnola, Henrik Koch, Enrico Ronca
Published in: Journal of Chemical Theory and Computation, Issue 21, 2025, ISSN 1549-9618
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Strong Coupling Møller–Plesset Perturbation Theory

Author(s): Yassir El Moutaoukal, Rosario R. Riso, Matteo Castagnola, Enrico Ronca, Henrik Koch
Published in: Journal of Chemical Theory and Computation, Issue 21, 2025, ISSN 1549-9618
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Collective Strong Coupling Modifies Aggregation and Solvation

Author(s): Matteo Castagnola, Tor S. Haugland, Enrico Ronca, Henrik Koch, Christian Schäfer
Published in: The Journal of Physical Chemistry Letters, Issue 15, 2024, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.48550/arXiv.2312.08814

Strong Coupling Quantum Electrodynamics Hartree–Fock Response Theory

Author(s): Matteo Castagnola, Rosario R. Riso, Yassir El Moutaoukal, Enrico Ronca, Henrik Koch
Published in: The Journal of Physical Chemistry A, Issue 129, 2025, ISSN 1089-5639
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination

Author(s): Rosario R. Riso, Laura Grazioli, Enrico Ronca, Tommaso Giovannini, and Henrik Koch
Published in: Physical Review X, Issue 13, 2023, ISSN 2160-3308
Publisher: American Physical Society
DOI: 10.48550/arxiv.2209.01987

Molecular van der Waals Fluids in Cavity Quantum Electrodynamics

Author(s): John P. Philbin; Tor S. Haugland; Tushar K. Ghosh; Enrico Ronca; Ming Chen; Prineha Narang; Henrik Koch
Published in: The Journal of Physical Chemistry Letters, Issue 14, 2023, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.48550/arxiv.2209.07956

Chiral polaritonics: cavity-mediated enantioselective excitation condensation

Author(s): Rosario R Riso, Matteo Castagnola, Enrico Ronca, Henrik Koch
Published in: Reports on Progress in Physics, Issue 88, 2025, ISSN 0034-4885
Publisher: IOP Publishing
DOI: 10.5281/ZENODO.15992606

Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling

Author(s): Sara Angelico, Tor S. Haugland, Enrico Ronca, Henrik Koch
Published in: The Journal of Chemical Physics, Issue 15, 2023, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.48550/arXiv.2308.09594

Chimica Polaritonica: manipolare la materia usando i fotoni

Author(s): Enrico Ronca
Published in: La Chimica e l’Industria, Issue 1, 2025, ISSN 0009-4315
Publisher: Società Chimica Italiana
DOI: 10.17374/CI.2025.107.1.78

Automatic Generation of Density-Fitting Auxiliary Basis Sets for All-Electron Dirac–Kohn–Sham Calculations

Author(s): Nicoló Antonini, Enrico Ronca, Loriano Storchi, Leonardo Belpassi
Published in: The Journal of Physical Chemistry A, Issue 129, 2025, ISSN 1089-5639
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Polaritonic response theory for exact and approximate wave functions

Author(s): Matteo Castagnola, Rosario Roberto Riso, Alberto Barlini, Enrico Ronca, Henrik Koch
Published in: WIREs computational molecular science, Issue 1684, 2023, ISSN 1759-0884
Publisher: Wiley
DOI: 10.48550/arXiv.2305.03477

Theory of Magnetic Properties in Quantum Electrodynamics Environments: Application to Molecular Aromaticity

Author(s): Alberto Barlini, Andrea Bianchi, Enrico Ronca, Henrik Koch
Published in: Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Publisher: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Thesis and dissertations (7)

Engineering chemistry in the strong coupling regime: theoretical insights and new perspectives

Author(s): Riso, Rosario Roberto
Published in: Doctoral thesis, 2023
Publisher: Norwegian University of Science and Technology

Towards the efficient simulation of relativistic molecular properties through an automatic density fitting basis set generation

Author(s): Nicolò Antonini
Published in: Master Thesis, 2024
Publisher: University of Perugia

Spin polaritonics for quantum computing: investigating the influence of relativistic retardation effects

Author(s): Riccardo Rossi
Published in: Master Thesis, 2024
Publisher: University of Perugia

N-electron valence perturbation theory for electron-photon systems

Author(s): Edoardo Ascani
Published in: Master Thesis, 2025
Publisher: University of Perugia

Manipulating DNA with Quantum Fields

Author(s): Tommaso Cenci
Published in: Bachelor Thesis, 2025
Publisher: University of Perugia

Modelling of dissipation effects in polaritonic chemistry

Author(s): Lorenzo Gialli
Published in: Bachelor Thesis, 2025
Publisher: University of Perugia

Manipulating molecular properties by intense lasers: an ab initio study based on Floquet theory

Author(s): Holly Mae Thurston
Published in: Bachelor Thesis, 2024
Publisher: University of Perugia