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Updated: Oct 25, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Dynamic mode decomposition in adaptive mesh refinement and coarsening simulations
Gabriel F Barros1, Malú Grave1, Alex Viguerie2
1Department of Civil Engineering, COPPE/Federal University of Rio de Janeiro, P.O. Box 68506, 21945-970 Rio de Janeiro, RJ Brazil.
Abstract:
Dynamic mode decomposition (DMD) is a powerful data-driven method used to extract spatio-temporal coherent structures that dictate a given dynamical system. The method consists of stacking collected temporal snapshots into a matrix and mapping the nonlinear dynamics using a linear operator. The classical procedure considers that snapshots possess the same dimensionality for all the observable data. However, this often does not occur in numerical simulations with adaptive mesh refinement/coarsening schemes (AMR/C). This paper proposes a strategy to enable DMD to extract features from observations with different mesh topologies and dimensions, such as those found in AMR/C simulations. For this purpose, the adaptive snapshots are projected onto the same reference function space, enabling the use of snapshot-based methods such as DMD. The present strategy is applied to challenging AMR/C simulations: a continuous diffusion-reaction epidemiological model for COVID-19, a density-driven gravity current simulation, and a bubble rising problem. We also evaluate the DMD efficiency to reconstruct the dynamics and some relevant quantities of interest. In particular, for the SEIRD model and the bubble rising problem, we evaluate DMD's ability to extrapolate in time (short-time future estimates).
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