GaravelliLab @GaravelliLab
Computational photochemistry group @ Università di Bologna site.unibo.it/spectroscopy-c… Bologna, Emilia Romagna Joined November 2023-
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🧬 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
Exciting new publication! Read more on @CellRepPhysSci
Interested in #QuantumComputing and #HPC? Join the new Master’s program at @Unibo! Apply now: master.unibo.it/hpqc/en
Missed our recent punlication about Thionated Nucleobases? Read it now on the Journal of the American Chemical Society pubs.acs.org/doi/10.1021/ja…
Just published on @NatureComms!! “Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state” nature.com/articles/s4146…
Just published on @JCIM_JCTC as Editor's choice! Discover how TDDFT and CASPT2 can join forces to obtain fast and accurate transient absorption spectra. pubs.acs.org/doi/full/10.10…
Read our latest paper on @JChemPhys Special Topic on Prediction Challenge: Cyclobutanone Photochemistry “Ultrafast photochemistry and electron-diffraction spectra in n→(3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level” doi.org/10.1063/5.0203…
Read our latest paper on @JChemPhys Special Topic on Prediction Challenge: Cyclobutanone Photochemistry “Ultrafast photochemistry and electron-diffraction spectra in n→(3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level” doi.org/10.1063/5.0203…
Now on Nature Communications! Discover our latest publication “Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct” nature.com/articles/s4146…
Now on JCC!!!
Just out now! Fast and accurate core-level spectroscopy simulation via MCTDH Quantum Dynamics pubs.acs.org/doi/full/10.10…
Out now! Discover how chemical design can influence excited state behavior in azobenzene fotoswitches! pubs.acs.org/doi/10.1021/ac…
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