
FAIR Chemistry @MetaAI. Simulation-based inference. Prev @MSFTResearch, @AmlabUva, @GRAPPAinstitute.
Amsterdam, the Netherlands
Joined May 2020
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Announcing our new model for materials!
FlowMM...
- Generates stable & novel materials efficiently
- Predicts crystal structure accurately
- Generalizes Riemannian Flow Matching to point clouds w/ periodic boundaries
arxiv.org/abs/2406.04713
@RickyTQChen @anuroopsriram @bwood_m
Benjamin Kurt Miller retweeted
Finally able to share what we have been cooking during my time at @cartesia. Tokenization-free models are the future!
We've been working on this on several modalities. I strongly believe that the highest gains will come from natural data modalities such as images and video (see end of video for a small teaser on those results).
I am extremely proud of the team! 🚀 💚
I've always believed that intelligence should come from simple, general building blocks that learn their own abstractions directly from raw data; in other words, the bitter lesson. I think we're finally seeing a real step towards AI that can learn from all data.
Language modeling on raw bytes is a microcosm of this ideal, and to me it's a central problem in AI: if we can't build LLMs that learn end-to-end from bytes, how will we handle the rest of the world's data that we understand even less?
Last year we introduced hierarchical networks (H-Nets) as a first step. Our new version finds up to 3-5x efficiency gains in controlled scaling law experiments, and at larger scale matches an open-source model trained on 11T tokens with ~10x less data and compute. The posts below walk through what we found and why we think it works.
Excited to release UMA Nitro! WAY faster than the previous UMA default. For this 153 atom peptide the raw inference speed is 32 ns/day on a single H200
Getting closer to watching biology happen from atoms up with a reactive DFT level potential is incredible!!
Benjamin Kurt Miller retweeted
✨ Huge thanks to my wonderful collaborators 💜: @HanlinYu2025 @KeelyAi04 @electronickale @nmboffi @RavikumarPrad @jmhernandez233 @max_simchowitz @bkmi13 @lomarchehab
🔗 paper: arxiv.org/pdf/2606.29110
💻 codes: github.com/tonyauyeung/scall…
📽️ project page: tonyauyeung.github.io/scallo…
Benjamin Kurt Miller retweeted
⏩ Speculative Sampling For Faster Molecular Dynamics (ICML 2026)
How to unlock lossless MD speedups near 10x with a new form of parallelism? Check out the comments 🧵 [1/4]
Big shoutout to my Meta internship advisors @bwood_m, Ray Gao and my academic advisor @guennemann!
Benjamin Kurt Miller retweeted
Open Molecules 2025 just got even better! We’re pleased to announce today that we significantly expanded OMol25 with 40M new datapoints. We also present our collaboration with Lawrence Livermore National Lab and Lawrence Berkeley National Lab on the Open Polymer 2026 dataset.
I'll be at the meta booth 3 to 5 today and tomorrow
ai4science, chemistry, sampling, inference
say hi!
Also UMA presentation at 10am
Benjamin Kurt Miller retweeted
Headed to NeurIPS (the San Diego version)!
A few of us from the FAIR chemistry team will be there presenting the Universal Model for Atoms (UMA). We’ve got a bunch of fun things planned — including an interactive demo — so come say hi and chat about AI for Science 🔬🤖
Here’s where you can find us:
Wed @ 10:00 and 11:00 am PT Meta booth — UMA lightning talk
Wed @ 4:30–7:30 pm PT Exhibit Hall C,D,E #1603 — UMA Spotlight Poster
Wed–Thu Meta booth — UMA demo
Also if you’re around and want to grab a coffee, let me know! ☕
Benjamin Kurt Miller retweeted
If you are a PhD student interested in AI for chemistry/biology/materials science, come join us! We work on a range of problems from generative modeling for inverse design and sampling to interatomic potentials and electronic structure prediction. Application link below.
Benjamin Kurt Miller retweeted
The @AIatMeta FAIR Chemistry team is excited to release the OMol25 Electronic Structures Dataset - 500 TB of electronic molecular data for the community in partnership with @BenBlaiszik's team at @argonne and @UChicago!
Details: fair-chem.github.io/molecule…
Benjamin Kurt Miller retweeted
Excited to present the FAIR Chemistry Leaderboard - a centralized space for our team’s community benchmark efforts. We’re kicking things off today with the OMol25 leaderboard!
📊Leaderboard: huggingface.co/spaces/facebo…
🖥️Code: github.com/facebookresearch/…
Benjamin Kurt Miller retweeted
The Meta FAIR Chemistry team continues to make meaningful strides.
1️⃣ Today we’re announcing FastCSP, a workflow that generates stable crystal structures for organic molecules. This accelerates material discovery efforts and cuts down the time to design molecular crystals from months to days.
Read the paper: ai.meta.com/research/publica…
The workflow will be available soon here: github.com/facebookresearch/…
We’re excited to introduce the Open Direct Air Capture 2025 dataset, the largest open dataset for discovering advanced materials that capture CO2 directly from the air.
Developed by Meta FAIR, @GeorgiaTech, and @cusp_ai, this release enables rapid, accurate screening of carbon capture materials and can help accelerate climate solutions using AI.
Explore the full dataset here: huggingface.co/facebook/ODAC…
Benjamin Kurt Miller retweeted
Check out my latest article: Symmetry by Design: Wyckoff Transformer linkedin.com/pulse/symmetry-… via @LinkedIn
Benjamin Kurt Miller retweeted
🚀Exciting news! We are releasing new UMA-1.1 models (Small and Medium) today and the UMA paper is now on arxiv!
UMA represents a step-change in what’s possible with a single machine learning interatomic potential (short overview in the post below). The goal was to make a model that works out-of-the-box for materials, molecules, catalysts, and beyond, while remaining fast enough for general-purpose use. ⚡🔬
The new 1.1 models fix a bug related to size extensivity. 🛠️✅
🧵 1/
Cool work led by @guanhorng_liu! Removing the restriction on memoryless SDEs enables a lot of relevant cases in chemistry and more... also better results!
Take advantage of the freedom of flow & bridge matching to choose a base dist & learn from energy alone! No more data!
Adjoint-based diffusion samplers have simple & scalable objectives w/o impt weight complication. Like many, though, they solve degenerate Schrödinger bridges, despite all being SB-inspired.
📢 Proudly introduce #Adjoint #Schrödinger #Bridge #Sampler, a full SB-based sampler that is simple to implement, scalable, practically very effective, theoretically sounded, and extends AM beyond memoryless noise schedule.
Great collab w/ @jaemoo51133 @RickyTQChen @bkmi13 @YongxinChen1 🙌🙌
arxiv.org/abs/2506.22565
François is really good!
Great pic and even greater release! :)






















