Daniel Zuegner
@danielzuegner.bsky.social
Senior Researcher @msftresearch.bsky.social #AI for #Science.
Past: PhD @ TUM, internships @ Amazon AWS, Spotify.
Amateur Photographer in my free time.
Past: PhD @ TUM, internships @ Amazon AWS, Spotify.
Amateur Photographer in my free time.
Come work with us in the materials team at @msftresearch.bsky.social AI for Science!
🚨We are hiring! 🚨 Want to join a highly talented, collaborative team and build the next frontier model for materials design? Apply to the following roles and join our materials team at @msftresearch.bsky.social AI for Science. Location can be Cambridge UK or Amsterdam NL or Berlin DE.
October 10, 2025 at 11:51 AM
Come work with us in the materials team at @msftresearch.bsky.social AI for Science!
Come work with us at @msftresearch.bsky.social in the team behind MatterGen and MatterSim!
Want to join our efforts @msftresearch.bsky.social AI for Science to push the frontier of AI for materials? We are the team behind MatterGen & MatterSim and we have 2 job openings! Each can be in Amsterdam, NL, Berlin, DE, or Cambridge, UK.
Search Jobs | Microsoft Careers
jobs.careers.microsoft.com
August 4, 2025 at 3:34 PM
Come work with us at @msftresearch.bsky.social in the team behind MatterGen and MatterSim!
Check out BioEmu on Science! Huge congrats to @franknoe.bsky.social and the whole team!
BioEmu now published in @science.org !!
What is BioEmu? Check out this video:
youtu.be/LStKhWcL0VE?...
What is BioEmu? Check out this video:
youtu.be/LStKhWcL0VE?...
July 11, 2025 at 7:14 AM
Check out BioEmu on Science! Huge congrats to @franknoe.bsky.social and the whole team!
Reposted by Daniel Zuegner
Microsoft 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...
June 18, 2025 at 10:08 AM
Microsoft 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...
Reposted by Daniel Zuegner
Very excited and proud of this incredible team effort!
Microsoft 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...
June 18, 2025 at 10:40 AM
Very excited and proud of this incredible team effort!
Reposted by Daniel Zuegner
🚀 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 ⚛️🔥🧪🧬
June 18, 2025 at 11:24 AM
🚀 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 ⚛️🔥🧪🧬
Reposted by Daniel Zuegner
Thermal 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
May 8, 2025 at 4:31 PM
Thermal 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
Reposted by Daniel Zuegner
Today 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.com/microsoft/bi...
GitHub - microsoft/bioemu-benchmarks: Benchmarking code accompanying the release of `bioemu`
Benchmarking code accompanying the release of `bioemu` - microsoft/bioemu-benchmarks
github.com
February 21, 2025 at 3:49 PM
Today 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.com/microsoft/bi...
Reposted by Daniel Zuegner
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...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
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...
www.biorxiv.org/content/10.1...
Reposted by Daniel Zuegner
Check 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...
www.youtube.com/watch?v=8vsT...
Emulation of protein equilibrium ensembles with generative deep learning | José Jiménez Luna, Yu Xie
YouTube video by VantAI
www.youtube.com
February 17, 2025 at 9:23 AM
Check 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...
www.youtube.com/watch?v=8vsT...
Reposted by Daniel Zuegner
The 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...
Please go ahead, play with it and let us know if there are issues.
github.com/microsoft/bi...
February 19, 2025 at 8:17 PM
The 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...
Please go ahead, play with it and let us know if there are issues.
github.com/microsoft/bi...
Reposted by Daniel Zuegner
Meet 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...
February 20, 2025 at 3:30 PM
Meet 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...
🔥🔥🔥
⭐️MatterGen has reached 1K stars on GitHub⭐️
Thanks for giving it a try, we look forward to seeing what you can discover with it!
This is what we discovered so far 🙃 (audio on)
Thanks for giving it a try, we look forward to seeing what you can discover with it!
This is what we discovered so far 🙃 (audio on)
February 11, 2025 at 6:34 PM
🔥🔥🔥
Reposted by Daniel Zuegner
MatterGen now published in Nature 🔥 Very strong work from the materials team at MSR AI for Science!
Microsoft 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...
January 16, 2025 at 1:08 PM
MatterGen now published in Nature 🔥 Very strong work from the materials team at MSR AI for Science!
Reposted by Daniel Zuegner
Microsoft 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...
January 16, 2025 at 12:18 PM
Reposted by Daniel Zuegner
Excited 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.
Microsoft 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...
January 16, 2025 at 10:10 AM
Excited 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.
Super excited to share that the MatterGen code is now public on GitHub! github.com/microsoft/ma...
January 16, 2025 at 10:26 AM
Super excited to share that the MatterGen code is now public on GitHub! github.com/microsoft/ma...
Reposted by Daniel Zuegner
Microsoft 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...
January 16, 2025 at 10:07 AM
Microsoft 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...
Reposted by Daniel Zuegner
Excited 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/2405.04967
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/2405.04967
GitHub - 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
github.com
December 11, 2024 at 6:39 AM
Excited 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/2405.04967
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/2405.04967
Reposted by Daniel Zuegner
🚨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!
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!
GitHub - 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
msft.it
December 3, 2024 at 5:11 PM
🚨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!
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!
Reposted by Daniel Zuegner
“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
This would not have been possible without Marcel Kollovieh* who lead the project, @danielzuegner.bsky.social and Stephan Günnemann !
1/4
December 6, 2024 at 1:58 PM
“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
This would not have been possible without Marcel Kollovieh* who lead the project, @danielzuegner.bsky.social and Stephan Günnemann !
1/4
Reposted by Daniel Zuegner
🎉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... 🧵
November 27, 2024 at 3:12 PM
🎉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... 🧵
Reposted by Daniel Zuegner
We 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.
We are actively working on developing more pre-trained models for MatterSim. Please stay tuned for updates.
🚨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!
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!
GitHub - 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
msft.it
December 4, 2024 at 1:49 AM
We 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.
We are actively working on developing more pre-trained models for MatterSim. Please stay tuned for updates.
Reposted by Daniel Zuegner
Excited 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...
Scalable emulation of protein equilibrium ensembles with generative deep learning
Following the sequence and structure revolutions, predicting the dynamical mechanisms of proteins that implement biological function remains an outstanding scientific challenge. Several experimental t...
www.biorxiv.org
December 6, 2024 at 8:22 AM
Excited 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...