Cecilia Clementi

Our development of machine-learned transferable coarse-grained models in now on Nat Chem! doi.org/10.1038/s41557… I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, @sayeg84, Andrea Guljas.

Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @MSFTResearch AI for Science. #ML #AI #NeuralNetworks #Biology #AI4Science biorxiv.org/content/10.110…

As the sun sets on our conference we take a look at the talks from the last day.. @CecClementi presented her group's work on developing a state-of-the-art machine learned coarse-grained #forcefield which will fold #PDB structures with 25% sequence similarity

BioEmu now published in @ScienceMagazine !! What is BioEmu? Check out this video: youtu.be/LStKhWcL0VE?si…

Meet Cecilia Clementi @CecClementi, Physics Prof at @FU_Berlin + speaker at the QBI/@rezo_tx “AI in Biology” symposium next week! She’ll share how machine learning can model protein dynamics, and why blending theory + experiment is more powerful than ever. Join us June 17–18…

Extending the RANGE of Graph Neural Networks: Relaying Attention Nodes for Global Encoding Virtual nodes introduced that pass information via attention; reduces oversquashing; improves GNN on molecules; MD22!! P: arxiv.org/abs/2502.13797

Meet @CecClementi, Einstein Prof. of Physics at @PhysikFUBerlin 🇩🇪. An ELLIS Fellow, she pioneers #AI4Science & is a member of #ELLISProgram ML for Molecule Discovery. Her research spans Biophysics & Theoretical/Chemical Physics. #WomenInELLIS

Scalable emulation of protein equilibrium ensembles with generative deep learning @MSFTResearch • BioEmu, a novel generative deep learning system, enables scalable emulation of protein equilibrium ensembles, achieving a 10,000-fold speed-up over molecular dynamics (MD)…

L’eccellenza scientifica italiana protagonista in Ambasciata in occasione del riconoscimento del network di scienziati 🇮🇹 SIGN come associazione no-profit, con un panel sulle applicazioni scientifiche dell’IA @G_Cuniberti @CecClementi @FrankNoeBerlin @DPasserone @SIGNnw @ItalyMFA

Progress towards rigorous #quantum statmech from classical dynamics by #MachineLearning quantum corrections to potentials. In this collaboration with @CecClementi, we obtain exact statics (beyond a centroid description) for paradigmatic aqueous system doi.org/10.1063/5.0226…

Career first! Girls night out with theoretical chem/biophysics profs in Brno!! 😍😍😍 @graeter_mbm @ppxasjsm @CecClementi @ElisaTelisa Thank you @BioExcelCoE @amjjbonvin for a wonderful conference! 🤓💕

Join us on our exciting mission to disrupt the molecular sciences with #MachineLearning #AI at @MSFTResearch AI for Science. Researcher and Engineering positions open, each can be in Berlin DE or Cambridge UK: aka.ms/ai4science-eng… aka.ms/ai4science-res…