Francesco Calcagno
- Thrilled to see this paper out on #JCTC! pubs.acs.org/doi/10.1021/...
- Thrilled to share our latest work now published on @digital-discovery.rsc.org ! 🎉 👉 “Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations” pubs.rsc.org/en/content/a...
- Interested in #QuantumComputing and #HPC? Join the second edition of the HPQC Master’s program at the University of Bologna 🇮🇹! Apply now: master.unibo.it/hpqc/en
- Breaking the glass ceiling of molecular design with quantum computers #QC! Thrilled to share our new preprint on #QEVO! Read more about QEVO👇 arxiv.org/abs/2508.15896
- Protein design with Quantum Machine Learning #QML. Not sci-fi, but reality! Read more about QOBRA in our latest work 👇 doi.org/10.1101/2025...
- 🚀 LDHs for CO2 conversion: our new review is now out! doi.org/10.1002/tcr....
- Is DFT enough? Learn more in our new paper! doi.org/10.1039/D4ME...
- 🚀 Excited to share our latest paper in @cp-cellrepphyssci.bsky.social “Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction” Fantastic collab 🇮🇹🇸🇪! doi.org/10.1016/j.xc...
- Now in #OA on the #JCC! #NMR calculations of 31P shielding using MD and QM/MM doi.org/10.1002/jcc....
