@GiEmmePi1

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

 Modena, Italy
piccinilab-molsimcat.unimore.it/
Joined June 2018
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Finally out! 🚀 What if reactions could discover themselves? Loxodynamics uses skewness-driven ML to uncover pathways in complex catalysis without prior guesses. nature.com/articles/s41467-0…
🤖 Made with AI
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🚀 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 🔗 lnkd.in/dpzir57A
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🎄 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... 👉 sciencedirect.com/science/ar… #ML + #enhancedsampling keeps delivering 🚀
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Big shoutout to @PrincyJarngal for the amazing work, and to the awesome US DoE team at @PNNL and @ORNL — great science and great teamwork! 🚀
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Great to be at #PACIFICHEM2025 in beautiful Honolulu 🌴 Looking forward to great talks, great science, and great conversations! #Pacifichem #Chemistry #ConferenceLife
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Truly grateful to have crossed paths with the incredible interdisciplinary teams at @RWTH rwth-aachen.de/go/id/bowrnb?…
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Great to be in Oslo for #WATOC2025 meeting all the lifelong friends. I’ve started with a Lunch with Michele
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Sonia holds a very special place in my heart as she used to be my programming professor at @UniTrieste who taught me #FORTRAN90
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Emiliano Poli
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GiovanniMaria Piccini retweeted
Chemistry World@ChemistryWorld13 Jun 2025
The most energetic molecule ever, and only the second ever neutral nitrogen molecule, hexanitrogen, has been isolated and characterised by researchers in Germany. chemistryworld.com/news/most…

Most energetic molecule ever made is stable – in liquid nitrogen

Nitrogen allotrope releases double the energy of the most powerful chemical explosives

chemistryworld.com
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🚀 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. 🔬🌱 pubs.acs.org/doi/10.1021/acs…

Molecular-Level Mechanistic Insights into PETase-Catalyzed Plastics Hydrolysis from Accurate QM/MM...

Abstract. The enzyme PETase is capable of depolymerizing plastics such as polyethylene terephthalate (PET) at moderate temperatures, and demonstrated even

pubs.acs.org
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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.
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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!
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🇮🇹 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: soc.chim.it/sites/default/fi… @UNIMORE_univ
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🇬🇧 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: soc.chim.it/sites/default/fi…
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GiovanniMaria Piccini retweeted
UChicago Chemistry@UChiChemistry9 Apr 2025
How will quantum computing change chemistry? Quantum computing is poised to revolutionize chemistry by enabling highly accurate simulations of molecular behavior, but what are our ethical obligations? Prof. Laura Gagliardi addressed these crucial questions at @cenmag 's 'Future of Chemistry' panel at the @AmerChemSociety Spring 2025 conference, highlighting the importance of responsible data development.
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