GaravelliLab

🚀 New paper out! We introduce a general strategy to simulate excited-state dynamics in molecular crystals, bridging molecular and solid-state approaches. Published in @JCIM_JCTC 🔗 link: pubs.acs.org/doi/10.1021/ac…

🚀💻New major release of our simulation software! 🐍Discover Cobramm capabilities on GitLab gitlab.com/cobrammgroup/c…

🧪✨ New paper out!
In @NatureChemistry, we report a light-driven molecular motor with wavelength-controlled inversion of rotation. Joint work within the @Unibo research community. #MolecularMotors #Photochemistry #Nanotechnology #ActiveMatter nature.com/articles/s4155…

Excited to share the award of a Starting Grant within the Italian Fund for Science 🎉 As the Italian congener of the ERC-StG, this generous grant (>1 M€) will allow us @Unibo to develop and implement light-driven molecular motors in complex matrices and biorelevant assemblies

New @PhysRevLett out! ⚛️ Conical intersections act as ultrafast molecular “beam splitters.” With heterodyned attosecond FWM (Hd-FWM), we track the resulting electronic coherences and show they can persist in CH₃I photofragments. #physics #chemistry #XUV link.aps.org/doi/10.1103/6b…

Thrilled to share our latest work on @digital_rsc! 🎉 👉 “Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations” - pubs.rsc.org/en/content/art…

💡 From watching to directing molecular movies — our ERC Synergy project CONCERT aims to control chemistry with light! Read about it on @MeteoWeb_eu 👇 🔗 meteoweb.eu/2025/11/contro… #ERCSynergy #ScienceNews

🎉 Our ERC Synergy project CONCERT is featured in UniboMagazine!
Proud to see our work on directing the molecular movies highlighted among UniBo’s ERC successes 👇
🔗 magazine.unibo.it/archivio/2025/…
#ERCSynergy #UniBo #MolecularMovies

🚀 Big news! Our team has been awarded an ERC Synergy Grant for CONCERT Project CONCERT brings together top researchers from Bologna, Politecnico di Milano, CNR Milano, UC Irvine & Elettra Sincrotrone to move from watching to directing molecular movies. #ERCSynergy

🧬 New study on quantum dynamics of vision! "Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization" out on JPCL Read more at the link below pubs.acs.org/doi/10.1021/ac… #QuantumChemistry #Photophysics #MolecularDynamics #Vision

🚀 New publication alert! Discover how mixed quantum-classical methods reveal the complex absorption spectra of coelenteramide and how molecular flexibility & nonadiabatic effects impact electronic spectroscopy. Read more on @PCCP 👉pubs.rsc.org/en/content/art…

Our latest paper finally out on @J_A_C_S “Mapping Excited-State Decay Mechanisms in Acetylacetone by Sub-20 fs Time-Resolved Photoelectron Spectroscopy” pubs.acs.org/doi/10.1021/ja…

Breaking the glass ceiling of molecular design with quantum computers #QC! Thrilled to share our new preprint on #QEVO! Read more about QEVO on @arxiv👇 arxiv.org/abs/2508.15896

Fresh new publication on Physical Review A!! Make sure you do not miss it 😊 “Stimulated x-ray Raman scattering for selective preparation of dark states bypassing optical selection rules” journals.aps.org/pra/abstract/1…

Read now our latest publication on @JCIM_JCTC Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm–Dancoff Method pubs.acs.org/doi/full/10.10…

Read our latest computational investigation of Ru(0)-catalyzed Guerbet reaction! Available now on Cell Reports Physical Science cell.com/cell-reports-p…

Recently published on MSDE! Discover more on the thermal isomerization of molecular photoswitches and how to perform large scale screening of molecules!! pubs.rsc.org/en/content/art…

Freshly published! Read our recent work “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” pubs.acs.org/doi/10.1021/ac…

+++ NEW COBRAMM RELEASE +++ Cobramm v2.4 has been released and is currently available on @gitlab New features include molecular dynamics with INTERSYSTEM CROSSING and new highly-automated tools for SPECTROSCOPY simulations Download it now at: gitlab.com/cobrammgroup/c…

Exciting new publication! Read more on @CellRepPhysSci