DoMiNO: Down-scaling Molecular Dynamics with Neural Graph Ordinary Differential Equations

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Fang Sun, Zijie Huang, Yadi Cao, Xiao Luo, Wei Wang, Yizhou Sun

18 Sept 2025 (modified: 12 Nov 2025)ICLR 2026 Conference Withdrawn SubmissionEveryoneRevisionsBibTeXCC BY 4.0
Keywords: Multi-scale Modeling, Molecular Dynamics, Neural ODE
Abstract: DoMiNO: Down-scaling Molecular Dynamics with Neural Graph Ordinary Differential Equations
Primary Area: applications to physical sciences (physics, chemistry, biology, etc.)
Submission Number: 13342