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A Reduced Order Model approach for First-Principles Molecular Dynamics Computations
Siu Wun Cheung, Youngsoo Choi, Jean-Luc Fattebert +2
To leverage the redundancy between the electronic structure computed at each step of first-principles molecular dynamics, we present a data-driven modeling framework for Kohn-Sham…
Machine-precision energy conservative reduced models for Lagrangian hydrodynamics by quadrature methods
Chris Vales, Siu Wun Cheung, Dylan M. Copeland +1
We present an energy conservative, quadrature based model reduction framework for the compressible Euler equations of Lagrangian hydrodynamics. Building on a finite element discret…
Theory and numerics of subspace approximation of eigenvalue problems
Siu Wun Cheung, Youngsoo Choi, Seung Whan Chung +3
Large-scale eigenvalue problems arise in various fields of science and engineering and demand computationally efficient solutions. In this study, we investigate the subspace approx…