Excited to announce the release of our preprint, "The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior", now available on ChemRxiv: 👉 Read the full preprint here: chemrxiv.org/engage/chemrxi… and get the parameters here: github.com/Martini-Force-…

Ring-in-Ring Assembly Facilitates the Synthesis of a [12]Cycloparaphenylene ABC-Type [3]Catenane (Youzhi Xu and co-workers) Youzhi Xu-徐尤智, Delius Lab 🇪🇺🇺🇦, Giovanni M. Pavan Lab, Pingwu Du, Delius Lab 🇪🇺🇺🇦.bsky.social • onlinelibrary.wiley.com/doi/10.1002/an…

Our latest work, led by Youzhi Xu-徐尤智, is dedicated to the memory of Fraser Stoddart! In May, I asked him about his favourite molecule ever made in his lab. After a while, he chose the iconic "Olympiadane" (ABCBA-type) [5]catenane. Giovanni M. Pavan Lab Pingwu Du onlinelibrary.wiley.com/doi/10.1002/an…

🤫 you can get a better universal #machinelearning potential by training on fewer than 100k structures. too good to be true? head to arxiv:2503.14118, to the atomistic cookbook, or to the better science social if you want to find out more about PET-MAD. 🧑‍🚀 over and out 👋

Only a few days left before we kick of the GRS and GRC meeting in Les Diablerets! We hope you have safe travels!

Sushi assembly with speakers! #ISMSC2025

Twenty case studies showing theoretical predictions in chemistry that were later confirmed experimentally. #CompChem doi.org/10.1515/pac-20…