i.i.d. sampling of a physically meaningful distribution is critical but has been challenging. Generative model is a natural fit for this task. Proud to be part of this work!

Put your favorite crystals in a pressure cooker, heat it up, and let your DL model learn a “universal” materials representation for broad tasks! Checkout MatterSim: arxiv.org/abs/2405.04967

Turned out off-equilibrium structures are helpful to predict stable materials. Great work from the team Jielan Tian Xie Claudio Zeni Robert Pinsler and many more.

super cool work from super cool Chi! Chi Chen

super cool group, extremely productive, dream postdoc position, join now!

Yes, finally got MatterSim out for our community to use. Please checkout the codes (and weights!), have fun with it, interface it with your awesome pipelines/softwares, and accelerate your cool research! GitHub repo: github.com/microsoft/matt… Preprint: arxiv.org/abs/2405.04967

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

2024年もマテリアルズインフォマティクスの論文を読んできましたが、今年は汎用機械学習ポテンシャルの公開モデルが進展した年だったなと思います。 MetaさんのEquiformerV2やMicrosoftさんのMatterSimなど、様々な高精度モデルが無料で簡単に使えるすごい時代になりました。 …tbench-discovery.materialsproject.org

Very excited to talk about #MatterGen and #MatterSim (on GitHub now!) at the ICTP Total Energy and Force Methods Workshop in Trieste at 17 today! Come if you're interested in generative models for materials and machine learning force fields :) #compchem #ai #materials

MatterGen is now in Nature! Try it out from the open source repo!

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/bioe…

Checkout MatterSim, TamGen, Aurora on Azure AI Foundry!

New work in collab w/ great Davide Donadio - Saying “hey, stop searching for that material, it does not exist!” is often harder than finding the material itself. With AI and some careful constraints, we try to probe the upper limit of heat transfer in matter

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