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We end our morning session learning from Luigi Bonati what to do for Building reactive potentials through machine learning and enhanced sampling

Very happy to find out that one of my papers is cited in the announcement of this year's Nobel Prize in Physics!

We start the last day of our CECAM workshop "Advances in catalytic reactivity simulations under operando conditions" with Michael Janik talking about Intermetallic catalysts for catalytic active site design

giacinto scoles Last coffee break ☕️ is over, and we’re closing our meeting with Martin Head-Gordon from Martin Head-Gordon Group, sharing three insightful stories on the developments and applications of #DFT. Perfect finale (Ligure)!

I've enjoyed a lot attending the CECAM workshop con operando catalysis organized by GiovanniMaria Piccini Luigi Bonati Umberto Raucci and folks! Dynamics rocks!

It has been a memorable journey and a great honour to organise this CECAM representing UNIMORE along with outstanding partners such as IIT Oak Ridge Lab UC Berkeley

Only 4 days left to apply for in-person participation to this exciting joint workshop between #CECAM and the EPFL_AI_Center, taking place on Dec 11-12 in Lausanne! Registration ▶️ cecam.org/workshop-detai…

Our work on using graph neural networks to build collective variables is now out on JCIM & JCTC Journals ! Check it out! 🧃: doi.org/10.1021/acs.jc… IIT