Ever get tired of tiny timesteps bottlenecking your MD simulations?
We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. ๐ก๐ผ ๐ฟ๐ฒ๐ณ๐ฒ๐ฟ๐ฒ๐ป๐ฐ๐ฒ ๐๐ฟ๐ฎ๐ท๐ฒ๐ฐ๐๐ผ๐ฟ๐ถ๐ฒ๐, ๐ป๐ผ ๐๐ป๐ฟ๐ผ๐น๐น๐ถ๐ป๐ด, ๐ป๐ผ ๐๐ฒ๐ฎ๐ฐ๐ต๐ฒ๐ฟ needed!
๐งต๐
Excited to share our latest preprint: ๐๐ฒ๐ฎ๐ฟ๐ป๐ถ๐ป๐ด ๐๐ฎ๐บ๐ถ๐น๐๐ผ๐ป๐ถ๐ฎ๐ป ๐๐น๐ผ๐ ๐ ๐ฎ๐ฝ๐: ๐ ๐ฒ๐ฎ๐ป ๐๐น๐ผ๐ ๐๐ผ๐ป๐๐ถ๐๐๐ฒ๐ป๐ฐ๐ ๐ณ๐ผ๐ฟ ๐๐ฎ๐ฟ๐ด๐ฒ-๐ง๐ถ๐บ๐ฒ๐๐๐ฒ๐ฝ ๐ ๐ผ๐น๐ฒ๐ฐ๐๐น๐ฎ๐ฟ ๐๐๐ป๐ฎ๐บ๐ถ๐ฐ๐ ๐
New wetsuit! Next dive with @cecclementi.bsky.social can come.
Great new toy ๐ฆ๐๐ฆ๐ฆ with @cecclementi.bsky.social
#MachineLearning researchers: Join us at @msftresearch.bsky.social #ArtificialIntelligence for Science to push the frontier of AI for molecular Biology or AI for Chemistry. Work with @marwinsegler.bsky.social or my team in Berlin, Cambridge or Amsterdam.
apply.careers.microsoft.com/careers/job/...
La familia ๐ฎ๐น๐ค Boune feste.
Our 2025 nocino production with @cecclementi.bsky.social โค๏ธโค๏ธโค๏ธ
Amazing Pannettone alla @cecclementi.bsky.social โค๏ธโค๏ธโค๏ธ
BioEmus in the government ๐ฅณ
Meet @cecclementi.bsky.social, Einstein Prof. of Physics at @freieuniversitaet.bsky.social ๐ฉ๐ช. An ELLIS Fellow, she pioneers #AI4Science & is a member of #ELLISProgram ML for Molecule Discovery. Her research spans Biophysics & Theoretical/Chemical Physics. #WomenInELLIS
Our latest paper on the interpretation on Neural Network Potentials is now published on Nature Communications: nature.com/articles/s41.... Congratulations to Klara Bonneau, Jonas Lederer and all authors. In collaboration with Klaus-Robert Mรผller's group.
5 Italian plus one adopted. Buon compleanno @cecclementi.bsky.social
(1/n) Can diffusion models simulate molecular dynamics instead of just generating independent samples?
In our NeurIPS 2025 paper, we train energy-based diffusion models that can do both:
- Generate independent samples
- Learn the underlying potential ๐ผ
๐งต๐
Paper: arxiv.org/abs/2506.17139
Join us @msftresearch.bsky.social AI for Science - only open this week: aka.ms/bioemu-applied
Lead a collaboration with drug discoverers. Orchestrate experimental data generation. Deploy BioEmu and other tools to understand biology at scale.
#Biology #Bioinformatics #CompBio #MachineLearning
Last call - open til Oct 30!
Are you excited about #MachineLearning and developing new architectures for Molecular Biology? Joint us for the next chapter of BioEmu at @msftresearch.bsky.social AI for Science - Berlin DE or Cambridge UK.
aka.ms/bioemu-ml
Good morning!!
Sadly overexposed, but still: yawning giant frogfish. In Permutaran, Bali. With @cecclementi.bsky.social and friends.
My best leaf sheep yet. With @cecclementi.bsky.social in Amed, Bali.
Join our BioEmu project @msftresearch.bsky.social AI for Science. In Berlin DE or Cambridge UK:
aka.ms/bioemu-ml - #MachineLearning Researcher
aka.ms/bioemu-data - Data Engineer
aka.ms/bioemu-applied - Applied Researcher
aka.ms/bioemu-principal - Principal Applied Researcher
Macro news from Bali. With @cecclementi.bsky.social
Big congratulations to Frank on receiving this yearโs Hirschfelder Prize! Excited to welcome Frank and Cecilia to Madison in late Oct!
Danke!
Thank you @adrianroitberg.bsky.social ! It's really great to have you in my corner!!
Grazie!
Postdoc position available in the BioEmu team at @msftresearch.bsky.social AI for Science - Berlin DE or Cambridge UK. Looking for candidates with backgrounds in #MachineLearning #AI Biophysics or Bioinformatics
jobs.careers.microsoft.com/global/en/jo...
Thank you Chris!
Want to join our BioEmu team in @msftresearch.bsky.social AI for Science as an Intern? Berlin DE or Cambridge UK are available. Preference for candidates at the end of their PhDs, but open for everything:
jobs.careers.microsoft.com/global/en/jo...
Thank you for being my sparring partner for so many years
Roberto Sordillo, Ryota @ryotat.bsky.social @cecclementi.bsky.social and Chris Bishop!
Yaoyi Chen, Soojung @soojungy.bsky.social Adam
@adamefoster.bsky.social Arne @rne.bsky.social, Jigyasa @jnigam.bsky.social, Federico Barbero, Vincent Stimper, Andrew Campbell, Jason @jyim.bsky.social, Marten @martenlienen.bsky.social, Yu Shi, Shuxin Zheng, Hannes Schulz, Usman Munir, ...
