most citedTopology, connectivity and electronic structure of C and B cages and the corresponding nanotubes

4 citations · 4 across the 2 of their papers we have counts for

collaborators
Showing physics.chem-phShow all

1 paper · 1 filter

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…