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

Información del proyecto

QED-Spin

Identificador del acuerdo de subvención: 101040197

DOI

10.3030/101040197

Fecha de la firma de la CE 3 Diciembre 2022

Fecha de inicio 1 Junio 2023

Fecha de finalización 31 Mayo 2028

Financiado con arreglo a

• European Research Council (ERC)

Coste total

€ 1 499 754,00

Aportación de la UE

€ 1 499 754,00

Coordinado por

UNIVERSITA DEGLI STUDI DI PERUGIA
Italy

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 .

Publicaciones

Peer reviewed articles (22)

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

Autores: Rosario R. Riso, Enrico Ronca, Henrik Koch
Publicado en: The Journal of Physical Chemistry Letters, Edición 15, 2024, ISSN 1948-7185
Editor: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

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

Autores: Matteo Castagnola, Marcus T. Lexander, Enrico Ronca, Henrik Koch
Publicado en: Physical Review Research, Edición 6, 2024, ISSN 2643-1564
Editor: American Physical Society (APS)
DOI: 10.5281/ZENODO.15992606

Chiral polaritonics: cavity-mediated enantioselective excitation condensation

Autores: Rosario R Riso, Matteo Castagnola, Enrico Ronca, Henrik Koch
Publicado en: Reports on Progress in Physics, Edición 88, 2025, ISSN 0034-4885
Editor: IOP Publishing
DOI: 10.48550/ARXIV.2410.16861

Two-Dimensional Moiré Polaronic Electron Crystals

Autores: 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
Publicado en: Physical Review Letters, Edición 132, 2024, ISSN 0031-9007
Editor: American Physical Society
DOI: 10.5281/ZENODO.15992606

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

Autores: Matteo Castagnola, Marcus T. Lexander, Enrico Ronca, Henrik Koch
Publicado en: Physical Review Research, Edición 6, 2024, ISSN 2643-1564
Editor: American Physical Society (APS)
DOI: 10.48550/ARXIV.2404.09762

Strong Coupling Møller–Plesset Perturbation Theory

Autores: Yassir El Moutaoukal, Rosario R. Riso, Matteo Castagnola, Enrico Ronca, Henrik Koch
Publicado en: Journal of Chemical Theory and Computation, Edición 21, 2025, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Collective Strong Coupling Modifies Aggregation and Solvation

Autores: Matteo Castagnola, Tor S. Haugland, Enrico Ronca, Henrik Koch, Christian Schäfer
Publicado en: The Journal of Physical Chemistry Letters, Edición 15, 2024, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.48550/arXiv.2312.08814

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

Autores: Alberto Barlini, Andrea Bianchi, Enrico Ronca, Henrik Koch
Publicado en: Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.48550/ARXIV.2402.10599

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

Autores: Rosario R. Riso, Enrico Ronca, Henrik Koch
Publicado en: The Journal of Physical Chemistry Letters, Edición 15, 2024, ISSN 1948-7185
Editor: American Chemical Society (ACS)
DOI: 10.48550/ARXIV.2308.06181

Strong Coupling Quantum Electrodynamics Hartree–Fock Response Theory

Autores: Matteo Castagnola, Rosario R. Riso, Yassir El Moutaoukal, Enrico Ronca, Henrik Koch
Publicado en: The Journal of Physical Chemistry A, Edición 129, 2025, ISSN 1089-5639
Editor: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination

Autores: Rosario R. Riso, Laura Grazioli, Enrico Ronca, Tommaso Giovannini, and Henrik Koch
Publicado en: Physical Review X, Edición 13, 2023, ISSN 2160-3308
Editor: American Physical Society
DOI: 10.48550/arxiv.2209.01987

Strong Coupling Quantum Electrodynamics Hartree–Fock Response Theory

Autores: Matteo Castagnola, Rosario R. Riso, Yassir El Moutaoukal, Enrico Ronca, Henrik Koch
Publicado en: The Journal of Physical Chemistry A, Edición 129, 2025, ISSN 1089-5639
Editor: American Chemical Society (ACS)
DOI: 10.48550/ARXIV.2502.14511

Molecular van der Waals Fluids in Cavity Quantum Electrodynamics

Autores: John P. Philbin; Tor S. Haugland; Tushar K. Ghosh; Enrico Ronca; Ming Chen; Prineha Narang; Henrik Koch
Publicado en: The Journal of Physical Chemistry Letters, Edición 14, 2023, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.48550/arxiv.2209.07956

Strong Coupling Møller–Plesset Perturbation Theory

Autores: Yassir El Moutaoukal, Rosario R. Riso, Matteo Castagnola, Enrico Ronca, Henrik Koch
Publicado en: Journal of Chemical Theory and Computation, Edición 21, 2025, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.48550/ARXIV.2501.08051

Chiral polaritonics: cavity-mediated enantioselective excitation condensation

Autores: Rosario R Riso, Matteo Castagnola, Enrico Ronca, Henrik Koch
Publicado en: Reports on Progress in Physics, Edición 88, 2025, ISSN 0034-4885
Editor: IOP Publishing
DOI: 10.5281/ZENODO.15992606

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

Autores: Riccardo Alessandro, Matteo Castagnola, Henrik Koch, Enrico Ronca
Publicado en: Journal of Chemical Theory and Computation, 2025, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.48550/ARXIV.2503.16417

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

Autores: Alberto Barlini, Andrea Bianchi, Enrico Ronca, Henrik Koch
Publicado en: Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling

Autores: Sara Angelico, Tor S. Haugland, Enrico Ronca, Henrik Koch
Publicado en: The Journal of Chemical Physics, Edición 15, 2023, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.48550/arXiv.2308.09594

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

Autores: Nicoló Antonini, Enrico Ronca, Loriano Storchi, Leonardo Belpassi
Publicado en: The Journal of Physical Chemistry A, 2025, ISSN 1089-5639
Editor: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

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

Autores: Riccardo Alessandro, Matteo Castagnola, Henrik Koch, Enrico Ronca
Publicado en: Journal of Chemical Theory and Computation, 2025, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.5281/ZENODO.15992606

Chimica Polaritonica: manipolare la materia usando i fotoni

Autores: Enrico Ronca
Publicado en: La Chimica e l’Industria, Edición 1, 2025, ISSN 0009-4315
Editor: Società Chimica Italiana
DOI: 10.17374/CI.2025.107.1.78

Polaritonic response theory for exact and approximate wave functions

Autores: Matteo Castagnola, Rosario Roberto Riso, Alberto Barlini, Enrico Ronca, Henrik Koch
Publicado en: WIREs computational molecular science, Edición 1684, 2023, ISSN 1759-0884
Editor: Wiley
DOI: 10.48550/arXiv.2305.03477

Thesis and dissertations (6)

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

Autores: Riso, Rosario Roberto
Publicado en: Doctoral thesis, 2023
Editor: Norwegian University of Science and Technology

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

Autores: Nicolò Antonini
Publicado en: Master Thesis, 2024
Editor: University of Perugia

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

Autores: Riccardo Rossi
Publicado en: Master Thesis, 2024
Editor: University of Perugia

N-electron valence perturbation theory for electron-photon systems

Autores: Edoardo Ascani
Publicado en: Master Thesis, 2025
Editor: University of Perugia

Modelling of dissipation effects in polaritonic chemistry

Autores: Lorenzo Gialli
Publicado en: Bachelor Thesis, 2025
Editor: University of Perugia

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

Autores: Holly Mae Thurston
Publicado en: Bachelor Thesis, 2024
Editor: University of Perugia