GiovanniMaria Piccini

Associate professor of theoretical chemistry at @UNIMORE_univ. Interested in molecular simulations, catalysis, reactivity.

[GiovanniMaria Piccini @GiEmmePi1]

Finally out! 🚀 What if reactions could discover themselves? Loxodynamics uses skewness-driven ML to uncover pathways in complex catalysis without prior guesses. https://t.co/v4zZm8bCA9

[GiovanniMaria Piccini @GiEmmePi1]

🚀 1st International School on Computational Catalysis
📍 Modena, Italy | 📅 June 10–12, 2026
For PhD students & early-career researchers: lectures + cookbook-style tutorials + networking
Organized with @SocChimIta (DCTC) & @ORNL

🔗 https://t.co/Ejxxju8lRc

[GiovanniMaria Piccini @GiEmmePi1]

Big shoutout to @PrincyJarngal for the amazing work, and to the awesome US DoE team at @PNNL and @ORNL — great science and great teamwork! 🚀

[GiovanniMaria Piccini @GiEmmePi1]

🎄 Xmas Eve present for catalysis nerds 🎁

New paper out in J. Catal.: protonation dynamics of ethanol–water clusters in H-ZSM-5, using ML potentials + metadynamics.

Solvation, protons, free-energies...

👉 https://t.co/ypeqrcTMWB

#ML + #enhancedsampling keeps delivering 🚀

[GiovanniMaria Piccini @GiEmmePi1]

Great to be at #PACIFICHEM2025 in beautiful Honolulu 🌴
Looking forward to great talks, great science, and great conversations!
#Pacifichem #Chemistry #ConferenceLife

[GiovanniMaria Piccini @GiEmmePi1]

Truly grateful to have crossed paths with the incredible interdisciplinary teams at @RWTH

https://t.co/btTnhqLbzA

[GiovanniMaria Piccini @GiEmmePi1]

@PaesaniLab @alessiomaristar @GagliardiGroup @UniTrieste Emiliano Poli

[GiovanniMaria Piccini @GiEmmePi1]

Great to be in Oslo for #WATOC2025 meeting all the lifelong friends.
I’ve started with a Lunch with Michele

[GiovanniMaria Piccini @GiEmmePi1]

@PaesaniLab @alessiomaristar @GagliardiGroup Sonia holds a very special place in my heart as she used to be my programming professor at @UniTrieste who taught me #FORTRAN90

[GiovanniMaria Piccini @GiEmmePi1]

@KozuchSebastian Very sad to read that.

[Chemistry World @ChemistryWorld]

The most energetic molecule ever, and only the second ever neutral nitrogen molecule, hexanitrogen, has been isolated and characterised by researchers in Germany.
https://t.co/TcZHhsAKFm

[GiovanniMaria Piccini @GiEmmePi1]

Key findings:
• Detailed reaction mechanism with transition states • Insights on substrate positioning & active site dynamics • Design principles for engineering more active and stable PETases
This work brings us closer to efficient biocatalysts for plastic recycling.

[GiovanniMaria Piccini @GiEmmePi1]

🚀 Excited to share our new paper in ACS Catalysis where we used advanced QM/MM simulations to uncover how PETase orchestrates bond cleavage in PET at the atomic level. 🔬🌱
https://t.co/fsHvsJX2xS

[GiovanniMaria Piccini @GiEmmePi1]

Every time @musichemlab invites me to a workshop, I end up in the most fabulous places. Grateful to be part of this spring meeting in Capri. Many thanks to @anitachemwalker and @quantumpeacock for having me!

[GiovanniMaria Piccini @GiEmmePi1]

🇬🇧 Excited to share my article on La Chimica e l’Industria! It covers computational catalysis and its role in advancing modern computational chemistry. 📄 Read here: https://t.co/7OLtColCPa

[GiovanniMaria Piccini @GiEmmePi1]

🇮🇹 Felice di condividere il mio articolo su La Chimica e l’Industria @SocChimIta!
Parlo di catalisi computazionale e dei suoi sviluppi nella chimica teorica e applicata.
📄 Leggi qui: https://t.co/7OLtColCPa

@UNIMORE_univ