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20222026
most citedExtending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms

41 citations · 48 across the 5 of their papers we have counts for

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cs.DC2026

Breaking the Training Barrier of Billion-Parameter Universal Machine Learning Interatomic Potentials

Yuanchang Zhou, Hongyu Wang, Yiming Du +12

Universal Machine Learning Interatomic Potentials (uMLIPs), pre-trained on massively diverse datasets encompassing inorganic materials and organic molecules across the entire perio…