General Embedding Models for Spectroscopy

Project Information

GEMS

Grant agreement ID: 818064

DOI

10.3030/818064

EC signature date 31 January 2019

Start date 1 June 2019

End date 30 November 2025

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 609 500,00

EU contribution

€ 1 609 500,00

Coordinated by

SCUOLA NORMALE SUPERIORE
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 (9)

Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts

Author(s): Matteo Ambrosetti, Sulejman Skoko, Tommaso Giovannini, Chiara Cappelli
Published in: Journal of Chemical Theory and Computation, 2021, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.1c00763

In silico design of graphene plasmonic hot-spots

Author(s): Luca Bonatti, Luca Nicoli, Tommaso Giovannini;,Chiara Cappelli
Published in: Nanoscale Advances, 2022, ISSN 2516-0230
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2na00088a

A polarizable three-layer frozen density embedding/molecular mechanics approach

Author(s): Franco Egidi, Sara Angelico, Piero Lafiosca, Tommaso Giovannini, Chiara Cappelli
Published in: The Journal of Chemical Physics, 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0045574

Amide Fingerprints are Hydrogen Bonding-Mediated

Author(s): Sara Gomez, Cettina Bottari, Franco Egidi, Tommaso Giovannini, Barbara Rossi, Chiara Cappelli
Published in: The Journal of Physical Chemistry Letters, 2022, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.2c01277

Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach

Author(s): Piero Lafiosca, Sara Gomez, Tommaso Giovannini, Chiara Cappelli
Published in: Journal of Chemical Theory and Computation, 2022, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.1c01066

Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures

Author(s): Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli
Published in: The Journal of Physical Chemistry C, 2021, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.1c04716

Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches

Author(s): Luca Bonatti, Gabriel Gil, Tommaso Giovannini, Stefano Corni, Chiara Cappelli
Published in: Frontiers in Chemistry, 2020, ISSN 2296-2646
Publisher: Frontiers
DOI: 10.3389/fchem.2020.00340

Molecular spectroscopy of aqueous solutions: a theoretical perspective

Author(s): Tommaso Giovannini, Franco Egidi, Chiara Cappelli
Published in: Chemical Society Reviews, Issue 49/16, 2020, Page(s) 5664-5677, ISSN 0306-0012
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cs00464e

Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures

Author(s): Tommaso Giovannini, Luca Bonatti, Marco Polini, Chiara Cappelli
Published in: The Journal of Physical Chemistry Letters, Issue 11/18, 2020, Page(s) 7595-7602, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.0c02051