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cecclementi.bsky.social
Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
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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

submitted 1 day ago • 0 comments

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

submitted 2 days ago • 0 comments

Our new preprint is out: Extending the RANGE of Graph Neural Networks: Relaying Attention Nodes for Global Encoding. arxiv.org/abs/2502.13797 We present a new architecture to address the problem of "short-sightedness" of MLFF based on GNN, which outperform in speed and accuracy Ewald-based GNN.

submitted 8 days ago • 3 comments

Many thanks to our colloquium speaker Cecilia Clementi @cecclementi.bsky.social from FU Berlin, for providing a deeper understanding of how machine learning and molecular simulations are leveraged to model protein dynamics. Keep an eye out for the video release on the HITS YouTube channel!

submitted 17 days ago • 0 comments

Don't miss our next HITS-SIMPLAIX Joint Colloquium on 10 February at 2:00 PM CET! Cecilia Clementi @cecclementi.bsky.social will talk about Modeling Protein Dynamics with Machine Learning and Molecular Simulation. Sign up ow.ly/h0Wl50UQ2kX to join via Zoom or just come by. @simplaix.bsky.social

submitted 25 days ago • 0 comments

I made panettone tiramisu with mascarpone in the dough and inserts of pistachio coffee and chocolate. With my loyal sourdough starter.

submitted 46 days ago • 2 comments

Awesome paper! BioEmu from MSR: Scalable emulation of protein equilibrium ensembles with generative deep learning www.biorxiv.org/content/10.1... Looking forward to hearing more explanainers in tomorrow's reading group session on zoom at 9am PT / 12pm ET / 6pm CET: portal.valencelabs.com/logg

submitted 47 days ago • 1 comment

"[…] To me Physics was not defined by subject matter: the atom, the troposphere, a piece of glass, my bicycle, a magnet, these are all incidentally the subject matter." 🧵 John J. Hopfield (2024 Physics Nobel Prize)

submitted 50 days ago • 1 comment

In 2024 I made a family of ceramic whales by throwing the main body on the wheel and altering the form. 🐳 Now deciding what other pottery animal I can build in 2025. Open for suggestions 😀 #ceramic #pottery

submitted 52 days ago • 7 comments

I tried to make pandoro for the first time. It’s a recipe for pandoro al cappuccino e caramello from an Italian blog I follow. Not fully satisfied with the results but @franknoe.bsky.social is excited to eat it 😀. Next weekend I will try panettone.

submitted 54 days ago • 0 comments

Merry #fishmas! Blue ringed octopus in Lembeh Strait, Indonesia, during a 2018 diving trip with @franknoe.bsky.social

submitted 66 days ago • 1 comment

Merry #fishmas! Blenny from Bonaire, our favorite Caribbean Island, where @franknoe.bsky.social and I spent quite some time in 2021

submitted 66 days ago • 0 comments

Merry #fishmas! Sharks in Rangiroa, French Polynesia, in a 2016 diving trip with @franknoe.bsky.social

submitted 66 days ago • 0 comments

Merry #fishmas! Dolphin in Rangiroa, French Polynesia during a 2016 diving trip with @franknoe.bsky.social

submitted 66 days ago • 0 comments

Merry #fishmas! A couple of cuties from Raja Ampat, from a 2019 trip with @franknoe.bsky.social.

submitted 66 days ago • 2 comments

Merry #fishmas! Picture taken on a diving trip to Cocos Islands in summer 2014.

submitted 66 days ago • 0 comments

Merry #fishmas! This picture is from a diving trip in Raja Ampat 10 years ago but it is still one of my favorites.

submitted 66 days ago • 1 comment

Just a little Christmas feast with @cecclementi.bsky.social and team

submitted 84 days ago • 0 comments

Cecilia Clementi (@cecclementi.bsky.social) kicks off the afternoon session of the ELLIS ML4Molecules Workshop in Berlin!

submitted 84 days ago • 0 comments

Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science. www.biorxiv.org/content/10.1...

submitted 84 days ago • 22 comments

CECAM crowd Lausanne @cecclementi.bsky.social Marilou Venkat Aaron Greg Michael Simon Rafa Pratyush Andy @chhdellago.bsky.social @grant.rotskoff.cc

submitted 88 days ago • 0 comments