{"id":25,"date":"2020-07-02T07:41:11","date_gmt":"2020-07-02T07:41:11","guid":{"rendered":"http:\/\/localhost\/wordpress\/?page_id=25"},"modified":"2026-01-26T11:21:49","modified_gmt":"2026-01-26T10:21:49","slug":"research","status":"publish","type":"page","link":"https:\/\/gems.sns.it\/?page_id=25","title":{"rendered":"Publications"},"content":{"rendered":"\t\t
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  1. 23. S. Sodomaco, P. Lafiosca, <\/b>T. Giovannini,<\/span> C. Cappelli <\/b>\u201cAtomistic QM\/Classical Modeling of Surface-Enhanced Infrared Absorption\u201d <\/span>J. Phys. Chem. C. <\/span><\/i>2026 <\/b>DOI: <\/span>DOI: 10.1021\/acs.jpcc.5c07549<\/span><\/a>.<\/span><\/span><\/span><\/li>
  2. 22. T. Giovannini, <\/span>P. Grobas Illobre, P. Lafiosca<\/b>, L. Nicoli, <\/span>L. Bonatti<\/b>, S. Corni, <\/span>C. Cappelli, <\/b>\u201cplasmonX: an Open-Source Code for Nanoplasmonics\u201d<\/span> Comput. Phys. Commun. <\/span><\/i>2026<\/b>.<\/span><\/i> DOI: <\/span>10.1016\/j.cpc.2026.110035<\/span><\/a><\/span><\/li>
  3. 21. T. Giovannini , L. Nicol<\/strong>i, S. Corni, C. Cappelli<\/strong>, \u201cThe Electric Field Morphology of Plasmonic Picocavities\u201d Nano Lett.<\/strong> 2025<\/strong> DOI: 10.1021\/acs.nanolett.5c01999.<\/a><\/li>
  4. 20. \u00a0P. Lafiosca, L. Nicoli<\/strong>, S. Pipolo, S. Corni, T. Giovannini<\/strong>, C. Cappelli<\/strong> \u201cReal-Time Formulation of Atomistic Electromagnetic Models for Plasmonics\u201d J. Phys. Chem. C.<\/em> 2024<\/strong> DOI: 10.1021\/acs.jpcc.4c04002<\/li><\/ol>
    1. T. Giovannini<\/strong>,\u00a0S. Gomez, C. Cappelli\u00a0<\/strong>\u201cModeling Raman Spectra in Complex Environments: from Solutions to Surface-Enhanced Raman Scattering\u201d\u00a0J. Phys. Chem. Lett.\u00a0<\/em>2025<\/strong>DOI:\u00a0DOI: 10.1021\/acs.jpclett.4c03591<\/a>.<\/li>
    2. P. Grobas Illobre, P. Lafiosca, L. Bonatti, T. Giovannini<\/strong>,\u00a0C. Cappelli <\/strong>\u201cMixed Atomistic-Implicit Quantum\/Classical Approach to Molecular Nanoplasmonics\u201d J. Chem. Phys.\u00a0<\/em>2025<\/strong>DOI:\u00a0DOI: 10.1063\/5.0245629<\/a>.<\/li>
    3. \u00a0S. Sodomaco, S. Gomez, T. Giovannini, C. Cappelli<\/strong>\u201cComputational Insights into the adsorption of ligands on gold nanosurfaces\u201d Phys. Chem. A<\/em>\u00a02023<\/strong>,\u00a0127, 10282. DOI:\u00a010.1021\/acs.jpca.3c05560<\/a>\u00a0.<\/li>
    4. L. Nicoli, P. Lafiosca, P. Grobas Illobre, L. Bonatti, T. Giovannini,<\/strong>C. Cappelli<\/strong>\u00a0<\/strong>\u201cFully atomistic modeling of plasmonic bimetallic nanoparticles: nanoalloys and core-shell systems\u201d\u00a0Front. Photon.<\/em>\u00a02023<\/strong>, 4,\u00a0DOI:\u00a010.3389\/fphot.2023.1199598<\/a>.<\/li>
    5. P. Lafiosca, L. Nicoli, L. Bonatti, T. Giovannini,<\/strong>S. Corni,\u00a0<\/strong>C. Cappelli<\/strong>\u00a0<\/strong>\u201cQM\/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models \u201d\u00a0J. Chem. Theory Comput.<\/em>\u00a02023<\/strong>, 19, 3616\u20133633,\u00a0DOI:\u00a010.1021\/acs.jctc.3c00177<\/a>.<\/li>
    6. \u00a0T. Giovannini, G. Marrazzini,<\/strong>M. Scavino, H. Koch,C. Cappelli \u201c<\/strong>Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems\u201d\u00a0J. Chem. Theory Comput.<\/em>\u00a02023<\/strong>,\u00a019,\u00a01446\u20131456, DOI:\u00a010.1021\/acs.jctc.2c00805 .<\/a><\/li>
    7. S. Gomez, P. Lafiosca. F. Egidi, T. Giovannini, C. Cappelli \u201c<\/strong>UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling applied to Doxorubicin intercalated into DNA\u201d\u00a0J. Chem. Inf. <\/em>Model.<\/em>2023<\/strong>, DOI:10.1021\/acs.jcim.2c01495.<\/a><\/li>
    8. S. Zanotto,L. Bonatti,<\/strong>\u00a0M. F. Pantano, V. Miseikis, G. Speranza,\u00a0T. Giovannini,<\/strong>\u00a0<\/strong>C. Coletti,\u00a0C. Cappelli<\/strong>, A. Tredicucci, A. Toncelli \u201cStrain-induced plasmon confinement in polycrystalline graphene\u201d \u00a0ACS Photonics<\/em>\u00a02023<\/strong>, DOI:\u00a010.1021\/acsphotonics.2c01157<\/a>.<\/li>
    9. S. Gomez, <\/strong>T. Giovannini,\u00a0<\/strong>C. Cappelli,\u00a0<\/strong>\u201cMultiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution\u201d, ACS Phys.<\/em>\u00a0Chem. Au<\/em>\u00a02022,<\/strong>\u00a0DOI:\u00a010.1021\/acsphyschemau.2c00050.<\/a><\/li>
    10. T. Giovannini, L. Bonatti, P. Lafiosca, L. Nicoli, M. Castagnola, P. Grobas Illobre,\u00a0<\/strong>S. Corni, C. Cappelli,\u00a0<\/strong>\u201cDo We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?\u201d,\u00a0ACS Photonics<\/em>\u00a02022<\/b>,\u00a0DOI:\u00a010.1021\/acsphotonics.2c00761<\/a>.<\/li>
    11. \u00a0S. Gomez, \u00a0<\/strong>C. Bottari, F. Egidi,\u00a0T. Giovannini,\u00a0<\/strong>B. Rossi,\u00a0C. Cappelli,\u00a0<\/strong>\u201cAmide Spectral Fingerprints are Hydrogen Bonding-Mediated\u201d,\u00a0<\/strong>J. Phys. Chem. Lett<\/em>\u00a02022,\u00a0<\/strong>DOI:\u00a010.1021\/acs.jpclett.2c01277<\/a>\u00a0.<\/strong><\/li>
    12. P. Lafiosca, S. Gomez,\u00a0T. Giovannini,\u00a0C. Cappelli,\u00a0\u201c<\/strong>Absorption Properties of Large Complex Molecular Systems: The DFTB\/Fluctuating Charge Approach\u201c,\u00a0<\/strong>J. Chem. Theory Comput.\u00a0<\/em>2022,<\/strong>\u00a0DOI:\u00a010.1021\/acs.jctc.1c01066<\/a>.<\/li>
    13. L. Bonatti<\/strong>, L. Nicoli<\/strong>, T. Giovannini<\/strong>, C. Cappelli<\/strong>, “In-silico design of graphene plasmonic hot-spots”, Nanoscale Adv.<\/em> 2022<\/strong>, DOI: 10.1039\/D2NA00088A<\/a><\/u>.<\/li>
    14. P. Lafiosca<\/strong>, T. Giovannini<\/strong>, M. Benzi, C. Cappelli<\/strong>, \u201cGoing Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures\u201d, J. Phys. Chem. C. <\/em> 2021<\/strong>, DOI: 10.1021\/acs.jpcc.1c04716<\/a><\/u>.<\/li>
    15. Matteo Ambrosetti, Sulejman Skoko,<\/strong> Tommaso Giovannini<\/strong>, Chiara Cappelli <\/strong>\u201cQuantum Mechanics\/Fluctuating Charge Protocol to Compute Solvatochromic Shifts\u201c, J. Chem. Theory Comput.<\/em> 2021<\/strong>, DOI: 10.1021\/acs.jctc.1c00763<\/a><\/u>.<\/li>
    16. F. Egidi, S. Angelico,\u00a0P. Lafiosca<\/strong>, T. Giovannini<\/strong>,\u00a0C. Cappelli <\/strong>\u201cA polarizable three-layer frozen density embedding\/molecular mechanics approach\u201c,\u00a0J. Chem. Phys.\u00a0<\/em>2021<\/strong>, DOI: 10.1063\/5.0045574<\/a><\/u>.<\/li>
    17. T. Giovannini<\/strong>, L. Bonatti<\/strong>, M. Polini,\u00a0C. Cappelli<\/strong> \u201cGraphene Plasmonics: Fully Atomistic Approach for Realistic Structures\u201c, J. Phys.\u00a0Chem.\u00a0Lett.<\/em>\u00a02020<\/strong>,\u00a0DOI: 10.1021\/acs.jpclett.0c02051<\/a><\/u>.<\/li>
    18. T. Giovannini<\/strong>, F. Egidi, C. Cappelli<\/strong> \u201cMolecular Spectroscopy of Aqueous Solutions: a Theoretical Perspective\u201d,\u00a0Chem.\u00a0Soc. Rev.\u00a0<\/em>2020<\/strong>,\u00a0DOI: 10.1039\/C9CS00464E<\/a><\/u>.<\/li>
    19. L. Bonatti<\/strong>, G. Gil, T. Giovannini<\/strong>, S. Corni, C. Cappelli<\/strong> \u201cPlasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches\u201d,\u00a0Front. Chem.<\/em>\u00a02020<\/strong>,\u00a0DOI: 10.3389\/fchem.2020.00340<\/a><\/u>.<\/li><\/ol><\/div>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"

      23. S. Sodomaco, P. Lafiosca, T. Giovannini, C. Cappelli \u201cAtomistic QM\/Classical Modeling of Surface-Enhanced Infrared Absorption\u201d J. Phys. Chem. C. 2026 DOI: DOI: 10.1021\/acs.jpcc.5c07549. 22. T. Giovannini, P. Grobas Illobre, P. Lafiosca, L. Nicoli, L. Bonatti, S. Corni, C. Cappelli, \u201cplasmonX: an Open-Source Code for Nanoplasmonics\u201d Comput. Phys. Commun. 2026. DOI: 10.1016\/j.cpc.2026.110035 21. T. Giovannini…
      Read more<\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-25","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/gems.sns.it\/index.php?rest_route=\/wp\/v2\/pages\/25","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/gems.sns.it\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/gems.sns.it\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/gems.sns.it\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/gems.sns.it\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=25"}],"version-history":[{"count":87,"href":"https:\/\/gems.sns.it\/index.php?rest_route=\/wp\/v2\/pages\/25\/revisions"}],"predecessor-version":[{"id":767,"href":"https:\/\/gems.sns.it\/index.php?rest_route=\/wp\/v2\/pages\/25\/revisions\/767"}],"wp:attachment":[{"href":"https:\/\/gems.sns.it\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=25"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}