 | Dr. Marco Romanelli University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria marco.romanelli@univie.ac.at +43 1 4277 52759 ORCID: 0000-0002-4330-9740 Google Scholar: t-4e3yIAAAAJ&hl=it&oi=ao |
| Focus Area |
| My research interests revolve around light-induced phenomena in molecules and materials. Currently, I am focusing on method implementation and development for excited-state non-adiabatic dynamics in periodic materials, going beyond standard molecular systems. Previously, during my PhD research, I delved into the molecular plasmonic field, where I applied and developed models to investigate the effects of strong light-molecule coupling on molecular photophysics. |
| Publications |
Software update: The SHARC Program for Nonadiabatic Dynamics - Version 4 (submitted), (2026) 11. M. Romanelli, M. Sahre, S. Mai, G. Kresse, L. González Extending SHARC to Periodic Systems: A SHARC–VASP Interface for First-Principles Nonadiabatic Dynamics (submitted), (2026) M. Romanelli, M. Sahre, S. Mai, G. Kresse, L. González Excited States from Restricted Open Shell Plane-Wave DFT (submitted), (2026) M. J. Sahre, M. Romanelli, M. Marsman, L. González, G. Kresse Identifying Differences between Semiclassical and Full-Quantum Descriptions of Plexcitons J. Phys. Chem. Lett. 15, 9326–9334, (2024), DOI: 10.1021/acs.jpclett.4c01519 M. Romanelli~, S. Corni A Vision for the Future of Multiscale Modeling ACS Phys. Chem Au 4, 202–225, (2024), DOI: 10.1021/acsphyschemau.3c00080 7. C. V. Coane, M. Romanelli, G. Dall’Osto, R. Di Felice, S. Corni Unraveling the Mechanism of Tip-enhanced Molecular Energy Transfer Communications Chemistry 7, 32, (2024), DOI: 10.1038/s42004-024-01118-1 6. J. Kuttruff, M. Romanelli, E. Pedrueza-Villalmanzo, J. Allerbeck, J. Fregoni, V. Saavedra-Becerril, J. Andréasson, D. Brida, A. Dmitriev, S. Corni, N. Maccaferri Sub-picosecond Collapse of Molecular Polaritons to Pure Molecular Transition in Plasmonic Photoswitch-nanoantennas Nature Communications 14, 3875, (2023), DOI: 10.1038/s41467-023-39413-5 5. A. Nana Koya, M. Romanelli, J. Kuttruff, N. Henriksson, A. Stefancu, G. Grinblat, A. De Andres, F. Schnur, M. Vanzan, M. Marsili, M. Rahaman, A. Viejo Rodríguez, T. Tapani, H. Lin, B. Dalga Dana, J. Lin, G. Barbillon, R. Proietti Zaccaria, D. Brida, D Jariwala, L. Veisz, E. Cortés, S. Corni, D. Garoli, N. Maccaferri Advances in Ultrafast Plasmonics Appl. Phys. Rev. 10, 021318, (2023), DOI: 10.1063/5.0134993 4. M. Romanelli, R. Roberto Riso, T. S. Haugland, E. Ronca, S. Corni, H. Koch Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems Nano Lett. 21, 4938–4946, (2023), DOI: 10.1021/acs.nanolett.3c00735 3. A. Carone, P. Mariani, A. Désert, M. Romanelli, J. Marcheselli, M. Garavelli, S. Corni, I. Rivalta, S. Parola Insight on Chirality Encoding from Small Thiolated Molecule to Plasmonic Au@Ag and Au@Au Nanoparticles ACS Nano 16, 1089–1101, (2022), DOI: 10.1021/acs.nanolett.3c00735 2. M. Romanelli, G. Dall’Osto, S. Corni Role of Metal-nanostructure Features on Tip-enhanced Photoluminescence of Single Molecules J. Chem. Phys. 155, 214304, (2021), DOI: 10.1063/5.0066758 1. P. Kabaciński, M. Romanelli, E. Ponkkonen, V. Kumar Jaiswal, T. Carell, M. Garavelli, G. Cerullo, I. Conti Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives J. Phys. Chem. Lett. 12, 11070–11077, (2021), DOI: 10.1021/acs.jpclett.1c02909 |