Vahe Gharakhanyan
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2025/05/13 by Daniel S. Levine, Levine, Daniel S., Muhammed Shuaibi +43 · 6 voices · 34 citations
#physics.chem-ph
- UMA: A Family of Universal Models for Atoms
2025/06/30 by Brandon M. Wood, Wood, Brandon M., Misko Dzamba +33 · 51 citations
Materials Science · Decision Sciences · Chemical Engineering · #Machine Learning in Materials Science #Scientific Computing and Data Management #Catalysis and Oxidation Reactions
- All-atom Diffusion Transformers: Unified generative modelling of molecules and materials
2025/03/05 by Chaitanya K. Joshi, Joshi, Chaitanya K., Xiang Fu +11 · 34 citations
Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Block Copolymer Self-Assembly #Quantum many-body systems
- Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
2024/11/18 by Jehad Abed, Abed, Jehad, Jiheon Kim +37 · 3 citations
Materials Science · #Catalytic Processes in Materials Science #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)