cobramm_QM/MM

🚀 COBRAMM v3 is out! New major release bringing fully non-proprietary QM and QM/MM workflows! ✨ Highlights: • new geometry optimizers • highly automated UV–Vis & TRPES from surface hopping 👉 Docs & install: visit the COBRAMM website #QMMM #Photochemistry

🎉 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

💡 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

🚀 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 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…

🧬 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 COBRAMM features unlocked! Dynamics including ISC between singlet and triplet states, together with improved spectroscopy simulation utilities! 🤩 Check out the latest results in our new paper!!

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…

+++ 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…

Interested in #QuantumComputing and #HPC? Join the new Master’s program at @Unibo! Apply now: master.unibo.it/hpqc/en

Want to know more about COBRAMM capabilities? Check out some of our latest results at the links below! Nat Commun 14, 7325 (2023): nature.com/articles/s4146… JCTC, 2024, 20, 2, 842–855: pubs.acs.org/doi/10.1021/ac… Photochem Photobiol. 2024; 100: 443-452: onlinelibrary.wiley.com/doi/10.1111/ph…

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…

New advances in spectroscopy simulation with COBRAMM! Read our latest work in JCTC pubs.acs.org/doi/10.1021/ac…

Predicting transient signals is a challenge, but COBRAMM can help! Check out the results of our participation to @JChemPhys Special Topic on Prediction Challenge: Cyclobutanone Photochemistry doi.org/10.1063/5.0203…

New results with COBRAMM!! “Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct” out now on Nature Communications nature.com/articles/s4146…

Modeling solvent effects and convergence of 31P-NMR shielding calculations with COBRAMM Read now on JCC!🚀 onlinelibrary.wiley.com/doi/10.1002/jc…

Out now! Discover how chemical design can influence excited state behavior in azobenzene fotoswitches! pubs.acs.org/doi/10.1021/ac…