A new polarizable QM/MM method for periodic systems uses SCME for water with multipoles up to hexadecapole and anisotropic polarizabilities, achieving full QM accuracy via careful near/far-field expansions and damping.
Title resolution pending
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
citation-role summary
background 1
citation-polarity summary
years
2026 2verdicts
UNVERDICTED 2roles
background 1polarities
background 1representative citing papers
Ab initio parametrization of distributed polarizable force fields via per-atom polarizability tensors and a message-passing GNN for scalable prediction on small organic molecules.
citing papers explorer
-
Ab initio parametrization of distributed polarizable force fields
Ab initio parametrization of distributed polarizable force fields via per-atom polarizability tensors and a message-passing GNN for scalable prediction on small organic molecules.