Daniel Zuegner @danielzuegner.bsky.social · 12/05/2026Check out these exciting news about our MatterSim model! 011
Reposted by Daniel ZuegnerClaudio Zeni @claudiozeni.bsky.social · 12/05/2026#MatterSim keeps getting better! 👩🔬 Experimentally synthesized high thermal conductor identified by MatterSim ⚡️ 3-5x inference speed-up 💪 MatterSim-MT: a new multi-task foundation model for in silico materials characterization ⬇️ Details below (1/6) #materials #mlip #lammps 122
Daniel Zuegner @danielzuegner.bsky.social · 21/04/2026I'm excited rto attend ICLR in Rio this week. Hit me up if you'd like to meet up for coffee! I will also be at the @msftresearch.bsky.social booth to talk about MSR AI for Science on Thu 12-12:30pm, Fri+Sat 10-10:30am. See you there! 031
Daniel Zuegner @danielzuegner.bsky.social · 05/03/2026Come work with us on AI-driven materials discovery at @msftresearch.bsky.social! 000
Daniel Zuegner @danielzuegner.bsky.social · 10/10/2025Come work with us in the materials team at @msftresearch.bsky.social AI for Science! 000
Daniel Zuegner @danielzuegner.bsky.social · 04/08/2025Come work with us at @msftresearch.bsky.social in the team behind MatterGen and MatterSim! 010
Daniel Zuegner @danielzuegner.bsky.social · 11/07/2025Check out BioEmu on Science! Huge congrats to @franknoe.bsky.social and the whole team! 010
Reposted by Daniel ZuegnerMicrosoft Research @msftresearch.bsky.social · 18/06/2025Microsoft researchers achieved a breakthrough in the accuracy of DFT, a method for predicting the properties of molecules and materials, by using deep learning. This work can lead to better batteries, green fertilizers, precision drug discovery, and more. www.microsoft.com/en-us/resear... 23710
Reposted by Daniel ZuegnerPaola Gori Giorgi @paolagorigiorgi.bsky.social · 18/06/2025Very excited and proud of this incredible team effort! 0196
Reposted by Daniel ZuegnerJan Hermann @hrmnn.net · 18/06/2025🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT ⚛️🔥🧪🧬 37225
Reposted by Daniel ZuegnerMicrosoft Research @msftresearch.bsky.social · 08/05/2025Thermal conductivity is critical in modern electronics, but in a post-Moore’s Law world, the need for novel structures that surpass the heat transfer properties of silicon is essential. Learn how AI is helping scientists discover these next-gen materials. msft.it/6013SnPAN 256
Reposted by Daniel ZuegnerFrank Noe @franknoe.bsky.social · 21/02/2025Today we have published BioEmu-Benchmarks (MIT license): a code to evaluate the multi-conformation sampling benchmarks, MD free energy landscape benchmarks, and folding free energy benchmarks shown in the BioEmu-1 paper with BioEmu or your own model. Some details below 🧵 github.com/microsoft/bi...github.comGitHub - microsoft/bioemu-benchmarks: Benchmarking code accompanying the release of `bioemu`Benchmarking code accompanying the release of `bioemu` - microsoft/bioemu-benchmarks 47521
Reposted by Daniel ZuegnerFrank Noe @franknoe.bsky.social · 06/12/2024Super 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... 21441147
Reposted by Daniel ZuegnerFrank Noe @franknoe.bsky.social · 17/02/2025Check out this great BioEmu talk by @jjimenezluna.bsky.social and @yuxie.bsky.social in the VantAI lecture series. Thank you for hosting @mmbronstein.bsky.social @lucanaef.bsky.social www.youtube.com/watch?v=8vsT...youtube.comEmulation of protein equilibrium ensembles with generative deep learning | José Jiménez Luna, Yu XieYouTube video by VantAI 03414
Reposted by Daniel ZuegnerFrank Noe @franknoe.bsky.social · 19/02/2025The BioEmu-1 model and inference code are now public under MIT license!!! Please go ahead, play with it and let us know if there are issues. github.com/microsoft/bi...github.comGitHub - microsoft/bioemu: Inference code for scalable emulation of protein equilibrium ensembles with generative deep learningInference code for scalable emulation of protein equilibrium ensembles with generative deep learning - microsoft/bioemu 210339
Reposted by Daniel ZuegnerMicrosoft Research @msftresearch.bsky.social · 20/02/2025Meet BioEmu-1 from Microsoft Research. This deep learning model can generate thousands of protein structures per hour, unlocking new possibilities for protein scientists and drug discovery and research. www.microsoft.com/en-us/resear... 13311
Reposted by Daniel ZuegnerKrzysztof Maziarz @maziarz.bsky.social · 16/01/2025MatterGen now published in Nature 🔥 Very strong work from the materials team at MSR AI for Science! 0104
Reposted by Daniel ZuegnerTian Xie @xie-tian.bsky.social · 16/01/2025Excited to finally announce the publication of MatterGen on Nature. MatterGen represents a new paradigm of materials design with generative AI. We are releasing the code of MatterGen under MIT license. Look forward to seeing how the community will use the tool and build on top of it. 1129
Daniel Zuegner @danielzuegner.bsky.social · 16/01/2025Super excited to share that the MatterGen code is now public on GitHub! github.com/microsoft/ma...github.comGitHub - microsoft/mattergen: Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards...Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c... 01710
Reposted by Daniel ZuegnerMicrosoft Research @msftresearch.bsky.social · 16/01/2025Microsoft researchers introduce MatterGen, a model that can discover new materials tailored to specific needs—like efficient solar cells or CO2 recycling—advancing progress beyond trial-and-error experiments. www.microsoft.com/en-us/resear... 16226
Reposted by Daniel ZuegnerClaudio Zeni @claudiozeni.bsky.social · 11/12/2024Excited to talk about MatterGen and MatterSim (now on GitHub!) today at the @cecamevents.bsky.social l workshop at CECAM-HQ in EPFL Lausanne. If you're interested, drop by at 11.15, or let's chat afterwards. 💻 github.com/microsoft/ma... 📄 arxiv.org/abs/2312.03687 📄📄 arxiv.org/abs/2405.04967github.comGitHub - microsoft/mattersim: MatterSim: A deep learning atomistic model across elements, temperatures and pressures.MatterSim: A deep learning atomistic model across elements, temperatures and pressures. - microsoft/mattersim 1196
Reposted by Daniel ZuegnerClaudio Zeni @claudiozeni.bsky.social · 03/12/2024🚨Our Machine Learning Force Field Mattersim is now available! 🚨 Check it out here 👇 msft.it/6013oBZLt The force field is designed to be used on a vast range of temperatures and pressures, try it yourself :) Feedback and suggestions are very welcome!msft.itGitHub - microsoft/mattersim: MatterSim: A deep learning atomistic model across elements, temperatures and pressures.MatterSim: A deep learning atomistic model across elements, temperatures and pressures. - microsoft/mattersim 58125
Reposted by Daniel ZuegnerBertrand Charpentier @bertrand-sharp.bsky.social · 06/12/2024“Expected Hierarchical Clustering” is at #NeurIPS2024! This would not have been possible without Marcel Kollovieh* who lead the project, @danielzuegner.bsky.social and Stephan Günnemann ! 1/4 121
Daniel Zuegner @danielzuegner.bsky.social · 06/12/2024👋Hi there, #Science & #AI/#ML @bsky.app! Finally left the dying birdsite for the bluer skies over here 🤩. 040
Reposted by Daniel Zuegnerparisperdikaris.bsky.social @parisperdikaris.bsky.social · 27/11/2024🎉Excited to announce major new breakthroughs in our Aurora foundation model! Our team (@cbodnar.com, @wessel.ai, @megstanley.bsky.social, @a-lucic.bsky.social, Anna Vaughan) has achieved unprecedented results across multiple Earth system forecasting tasks. Here's what's new... 🧵 13111
Reposted by Daniel ZuegnerHan Yang 杨涵 @yanghan234.bsky.social · 04/12/2024We are glad to announce that we are releasing MatterSim-V1 for public use today. We look forward to hearing your feedback after trying out our models. We are actively working on developing more pre-trained models for MatterSim. Please stay tuned for updates. 032
Reposted by Daniel ZuegnerJose Jimenez-Luna @jjimenezluna.bsky.social · 06/12/2024Excited to present what we've been up to the last couple years. Introducing BioEmu, a Biomolecular Emulator of protein dynamics: www.biorxiv.org/content/10.1...biorxiv.orgScalable emulation of protein equilibrium ensembles with generative deep learningFollowing the sequence and structure revolutions, predicting the dynamical mechanisms of proteins that implement biological function remains an outstanding scientific challenge. Several experimental t... 26515
Daniel Zuegner @danielzuegner.bsky.social · 06/12/2024Check out BioEmu, the latest and greatest coming out of Microsoft Research AI for Science! 020