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physics.chem-ph2026

DMRG/FQ: a Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges

Matteo Rinaldi, Chiara Sepali, Alicia Marie Kirk +2

We present an integrated multiscale framework that combines the Density Matrix Renormalization Group (DMRG) with a polarizable fluctuating-charge (FQ) force field for the simulatio…