Brought to you by Austin Cheng (@auhcheng.bsky.social) — meet the newest member of our team: Quetzal!
Named after Quetzalcoatl, the Aztec god of creation, Quetzal is a simple yet scalable model for building 3D molecules atom by atom.
📜 arxiv.org/abs/2505.13791
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                23.05.2025 16:13 — 👍 12    🔁 6    💬 1    📌 2                      
            
         
            
        
            
            
            
            
                                                 
                                                
    
    
    
    
            We’re excited to welcome a new member to the Matter Lab: El AgenteQ
Specialty: Quantum Chemistry
Operating mode: 24/7. No coffee. No ego. Just results and electrons.
Contributions: arxiv.org/abs/2505.02484
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                12.05.2025 16:18 — 👍 20    🔁 13    💬 1    📌 1                      
            
         
            
        
            
            
                            
            
            
            
    
    
    
    
            If you know a molecule's molecular formula and moments of inertia, can you predict its all-atom 3D structure?
I'm at ICLR presenting Stiefel Flow Matching for Moment-Constrained Structure Elucidation! Poster #1 today at 3 pm.
arxiv.org/abs/2412.12540
github.com/aspuru-guzik...
               
            
            
                24.04.2025 01:45 — 👍 0    🔁 0    💬 0    📌 0                      
            
         
    
         
        
            
        
                            
                    
                    
                                            Postdoc of the Matter Lab at the University of Toronto
PhD of the CoMo Group at the University of Cambridge
                                     
                            
                    
                    
                                            The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
                                     
                            
                    
                    
                                            CS PhD Student @ The Matter Lab UofT and Vector Institute | Robotics Researcher | UWaterloo Mechatronics Graduate
                                     
                            
                    
                    
                                            PhD student @MIT • Research on Generative Models for Biophysics and Drug Discovery
                                     
                            
                    
                    
                                            ML + Cells + Proteins. PI @ Aithyra
                                     
                            
                    
                    
                                            Assistant Professor at Mila and UdeM
https://necludov.github.io/
                                     
                            
                    
                    
                                            Incoming Assistant Prof, University of Alberta. Research Fellow at Amii. Currently, postdoc fellow the Broad Institute.
                                     
                            
                    
                    
                                            Incoming Assistant Professor @Imperial College London. Post-doc @UniofOxford. Into Geometry ∩ Generative Models. @mila-quebec.bsky.social Affiliate member. Phd from @mila-quebec.bsky.social / McGill.
website: https://joeybose.github.io/
                                     
                            
                    
                    
                                            Professor for AI/ML Methods in Tübingen. Posts about Probabilistic Numerics, Bayesian ML, AI for Science. Computations are data, Algorithms make assumptions.
                                     
                            
                    
                    
                                            Research Director, Founding Faculty, Canada CIFAR AI Chair @VectorInst.
Full Prof @UofT - Statistics and Computer Sci. (x-appt) danroy.org
I study assumption-free prediction and decision making under uncertainty, with inference emerging from optimality.
                                     
                            
                    
                    
                                            So far I have not found the science, but the numbers keep on circling me.
Views my own, unfortunately.
                                     
                            
                    
                    
                                            Computational Quantum Physicist - EPFL Lausanne, Switzerland 
                                     
                            
                    
                    
                                    
                            
                    
                    
                                            Research Computing Support Specialist for #matterlab @thematterlab.bsky.social https://matter.toronto.edu and pinch hitter for the Acceleration Consortium @accelerationc.bsky.social https://acceleration.utoronto.ca at #uoft @uoft.bsky.social
                                     
                            
                    
                    
                                            UofT CompSci PhD Student in Alán Aspuru-Guzik's #matterlab and Vector Institute  | prev. Apple
                                     
                            
                    
                    
                                            Associate Professor @ University of Sao Paulo. Structural biologist. Protein crystallographer. Interested in protein-ligand interactions and modeling
                                     
                            
                    
                    
                                            AI for chemistry and materials at University of Toronto + Vector Institute with @aspuru.bsky.social | prev. SandboxAQ | MSc and BSc in physics 🇨🇦🇭🇰
                                     
                            
                    
                    
                                    
                            
                    
                    
                                            PhD student at @UofT with Alan Aspuru-Guzik #matterlab | Comp. Chem. + ML for Catalytic and Energy Materials | 🇸🇬