most citedMachine-precision energy conservative reduced models for Lagrangian hydrodynamics by quadrature methods

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physics.chem-ph2025

Model Order Reduction for Quantum Molecular Dynamics

Siu Wun Cheung, Youngsoo Choi, Jean-Luc Fattebert +1

Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides h…