Marco Garavelli

Ono Pharmaceutical (Japan) — Japan

Physics and Astronomy · Physical Sciences

58h-index13.6kcitations352works2.22yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(121), Photoreceptor and optogenetics research(114), Photochemistry and Electron Transfer Studies(92), Advanced Chemical Physics Studies(58), Photochromic and Fluorescence Chemistry(48)

Publications352 total

Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations
Digital Discovery·2025Open Access
Diabatization with electrostatic embedding for studyingphotophysics in organic molecular crystals
2025
Revealing the First Steps of the Internal Conversion Mechanism in UV-excited Ir(2-ppy)3: Full-Dimensional Nonadiabatic Quantum Dynamics Simulations of the Ligand
2025
Author response for "Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations"
2025
Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism
The Journal of Physical Chemistry Letters·2025Open Access
Author response for "Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations"
2025
Tracing Long-Lived Atomic Coherences Generated via Molecular Conical Intersections
Physical Review Letters·2025Open Access
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization
The Journal of Physical Chemistry Letters·2025Open Access
Deconstructing Chirality: Probing Local and Non-local Effects in Azobenzene Derivatives with X-ray Circular Dichroism
2025Open Access
Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies
The Journal of Chemical Physics·2025Open Access
Stimulated x-ray Raman scattering for selective preparation of dark states bypassing optical selection rules
Physical review. A/Physical review, A·2025Open Access
Quantum Dynamics Predicts Coherent Oscillatory Behavior in the Early-times of a Photoisomerization Reaction
arXiv (Cornell University)·2025Open Access
Mol2Raman: a graph neural network model for predictingRaman spectra from SMILES representations
2025· 1 citedOpen Access
Tracing long-lived atomic coherences generated via molecular conical intersections
arXiv (Cornell University)·2025Open Access
Mol2Raman: a graph neural network approach for the prediction of Raman spectra from molecular structures
2025
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations
2025
Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm–Dancoff Method
Journal of Chemical Theory and Computation·2025· 8 citedOpen Access
Photochemical Pathways and Light-Enhanced Radical Scavenging Activity of 1,8-Dihydroxynaphthalene Allomelanin
Journal of the American Chemical Society·2025· 13 citedOpen Access
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine–Cytosine Stacked Dimers: A Quantum Dynamical Investigation
The Journal of Physical Chemistry A·2025· 3 citedOpen Access
Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm-Dancoff Method
2025Open Access
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Frequent Co-authors

Massimo Olivucci(23), Fernando Bernardi(18), Michael A. Robb(11), Artur Nenov(10), Piero Altoè(10), Giorgio Orlandi(10), Alessandro Cembran(9), Irene Conti(9), Paolo Celani(8), Javier Segarra‐Martí(7), Giulio Cerullo(6), Oliver Weingart(5), Francesco Segatta(5), Luca De Vico(4), Laura Gagliardi(4), Ivan Rivalta(4), Cristian Manzoni(4), Manuela Merchán(4), Marco Stenta(4), Francesco Aquilante(3)