Publications

The final peer-reviewed version of the articles listed here and already published are available on the arXiv and/or on Zenodo

      1. S. Pipolo and S. Corni.
        Real-Time Description of the Electronic Dynamics for a Molecule Close to a Plasmonic Nanoparticle.
        J. Phys. Chem. C 120, 28774–28781 (2016)
        DOI: 10.1021/acs.jpcc.6b11084
      2. G.Gil, S. Corni, A. Delgado, A. Bertoni, G. Goldoni.
        Predicting signatures of anisotropic resonance energy transfer in dye-functionalized nanoparticles.
        RSC Advances 6, 104648-104656 (2016)
        DOI: 10.1039/C6RA22433D
      3. S.Pipolo,  S. Corni and R. Cammi
        Equation of Motion for the Solvent Polarization Apparent Charges in the Polarizable Continuum Model: Application to Time-Dependent CI
        J. Chem. Phys. 146, 064116 (2017);
        DOI: 10.1063/1.4975620; arXiv:1612.01949
      4. Zhang, L. Bursi, J. D. Cox, Y. Cui, C. M. Krauter, A. Alabastri, A. Manjavacas, A. Calzolari, S. Corni, E. Molinari, E. A. Carter, F. J. García de Abajo, H. Zhang, and P. Nordlander
        How To Identify Plasmons from the Optical Response of Nanostructures
        ACS Nano 11, 7321-7335 (2017);
        DOI: 10.1021/acsnano.7b03421
      5. E. Coccia, F. Troiani, and S. Corni, Probing quantum coherence in ultrafast molecular processes: An ab initio approach to open quantum systems J. Chem. Phys. 148, 204112 (2018);
        DOI: 10.1063/1.5022976; arXiv:1805.06392
      6. G. Brancolini, M. C. Maschio, C. Cantarutti, A. Corazza, F. Fogolari, V. Bellotti, S. Corni, and G. Esposito Citrate stabilized gold nanoparticles interfere with amyloid fibril formation: D76N and Δn6 β2-microglobulin variants Nanoscale 10, 4793–4806 (2018);
        DOI: 10.1039/c7nr06808e
      7. S. Caprasecca, S. Corni, and B. Mennucci Shaping excitons in light-harvesting proteins through nanoplasmonics Chem. Sci. 9, 6219-6227 (2018);
        DOI: 10.1039/C8SC01162A
      8. M. Guerrini, A.Calzolari, and S. Corni, Solid-State Effects on the Optical Excitation of Push–Pull Molecular J-Aggregates by First-Principles Simulations ACS Omega 3,10481–10486 (2018);
        DOI: 10.1021/acsomega.8b01457
      9. M. Labeye, F. Zapata, E. Coccia, V. Veniard, J. Toulouse, J. Caillat, R. Taieb, and E. Luppi On the optimal basis set for electron dynamics in strong laser fields: The case of molecular ion H2+ J. Chem. Theory Comput. 14, 5846-5858 (2018);
        DOI: 10.1021/acs.jctc.8b00656
      10. J. Fregoni, G. Granucci, E. Coccia, M. Persico, and S. Corni Manipulating azobenzene photoisomerization through strong light–molecule coupling Nature Comm. 9, 4688 (2018);
        DOI: 10.1038/s41467-018-06971-y
      11. M. Guerrini, C.Cocchi, A.Calzolari, D.Varsano and S. Corni, Interplay between Intra-and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates J. Phys. Chem. C 123,6831–6838 (2019);
        DOI: 10.1021/acs.jpcc.8b11709
      12. M. Guerrini, A.Calzolari, D.Varsano and S. Corni, Quantifying the plasmonic character of optical excitations in a molecular J-aggregate J. Chem. Theory Comput. 15,3197-3203 (2019);
        DOI: https://doi.org/10.1021/acs.jctc.9b00220
      13. E. Coccia, and S. Corni, Role of coherence in the plasmonic control of molecular absorption J. Chem. Phys. 151, 044703 (2019);
        DOI: 10.1063/1.5109378
      14. G. Brancolini, H. Lopez, S. Corni, and V.Tozzini Low-Resolution Models for the Interaction Dynamics of Coated Gold Nanoparticles with β2-microglobulin Int. J. Mol. Sci. 20,3866 (2019);
        DOI: 10.3390/ijms20163866
      15. G. Gil, S. Pipolo, A. Delgado, C.A. Rozzi, and S. Corni Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model J. Chem. Theory Comput. 15,2306-2319 (2019);
        DOI: 10.1021/acs.jctc.9b00010
      16. V. Giliberti, R. Polito, E. Ritter, M. Broser, P. Hegemann, L. Puskar, U. Schade, L. Zanetti-Polzi, I. Daidone, S. Corni, F. Rusconi, P. Biagioni, L. Baldassarre, M. Ortolani Tip-Enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patches Nano Letters 19,3104-3114 (2019);
        DOI: 10.1021/acs.nanolett.9b00512
      17. M.Rosa, G.Gil, S. Corni, and R. Cammi Quantum optimal control theory for solvated systems J. Chem. Phys. 151, 194109 (2019);
        DOI: 10.1063/1.5125184
      18. T.Giovannini, M.Rosa, S. Corni, and C. Cappelli A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics Nanoscale 11, 6004 (2019);
        DOI: 10.1039/C8NR09134J
      19. B. Mennucci, and S. Corni Multiscale modelling of photoinduced processes in composite systems Nature Review Chemistry 3, 315-330 (2019);
        DOI: 10.1038/s41570-019-0092-4
      20. J. Fregoni, G. Granucci, M. Persico, and S. Corni Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene Chem, 6, 250-265 (2020);
        DOI: 10.1016/j.chempr.2019.11.001
      21. G. Dall’Osto, E. Coccia, C.A. Guido, and S. Corni Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: a stochastic quantum approach Phys Chem Chem Phys, 22, 15734-16746 (2020);
        DOI: 10.1039/D0CP02557G
      22. L. Bonatti, G. Gil, T. Giovannini, S. Corni, C. Cappelli Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches Front. Chem. 8, 340 (2020);
        DOI: 10.3389/fchem.2020.00340
      23. J. Marcheselli, D. Chateau, F. Lerouge, P. Baldeck, C. Andraud, S. Parola, S. Baroni, S. Corni, M. Garavelli, I. Rivalta Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods J. Chem. Th. Comp. 16, 3807-38015 (2020);
        DOI: 10.1021/acs.jctc.0c00269
      24. C. A. Guido, M. Rosa, R. Cammi, and S. Corni An open quantum system theory for polarizable continuum models J. Chem. Phys. 152, 174114 (2020);
        DOI: 10.1063/5.0003523
      25. J. Fregoni, S. Corni, M. Persico, and G. Granucci Photochemistry in the strong coupling regime: A trajectory surface hopping scheme J. Comp. Chem. 41, 2033-2044 (2020);
        DOI: 10.1002/jcc.26369
      26. G. Dall’Osto, G. Gil, S. Pipolo and S. Corni Real-time dynamics of plasmonic resonances in nanoparticles described by a boundary element method with generic dielectric function J. Chem. Phys. 153, 184114 (2020);
        DOI: 10.1063/5.0022329
      27. E. Coccia, J. Fregoni, C.A. Guido, M. Marsili, S. Pipolo, and S. Corni Hybrid theoretical models for molecular nanoplasmonics (invited perspective) J. Chem. Phys. 153, 200901 (2020);
        DOI: 10.1063/5.0027935
      28. N. Peruffo, G. Gil, S. Corni, F. Mancin, and E. Collini Selective switching of multiple plexcitons in colloidal materials: directing the energy flow at the nanoscale Nanoscale 13, 6005-6015 (2021)
        DOI: 10.1039/D1NR00775K
      29. C.A. Guido, E. Rotunno, M. Zanfrognini, S. Corni, and V. Grillo Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons J. Chem. Th. Comp. 17, 2364-2373 (2021)
        DOI: 10.1021/acs.jctc.1c00045
      30. C.A. Guido, E. Rotunno, M. Zanfrognini, S. Corni, and V. Grillo Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons J. Chem. Th. Comp. 17, 2364-2373 (2021)
        DOI: 10.1021/acs.jctc.1c00045
      31. D. Castaldo, M. Rosa, and S. Corni Quantum optimal control with quantum computers: A hybrid algorithm featuring machine learning optimization Phys. Rev. A 103, 022603 (2021)
        DOI: 10.1103/PhysRevA.103.022613