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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Farnaz Heidar-Zadeh

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Open access Oct 2026

Dipole-constrained variational Hirshfeld for electrostatically faithful atomic charges.

Density-based atomic partitioning methods provide atomic electron densities that enable the consistent derivation of atomic properties used to model non-bonded interactions, but their atomic charges often fail to accurately reproduce molecular electrostatics. We develop dipole-constrained additive variational Hirshfeld...

L. Pujal, Farnaz Heidar-Zadeh · 0 citations
#protein folding Conference Open access Sep 2026

Evaluating the Transferability and Distinguishability of Atomic Moments Across Atom in Molecule (AIM) Partitioning Schemes

By identifying AIM methods that result in conformationally stable and transferable atomic properties, this study aims to improve IDP modelling and guide the development of more accurate force fields for biologically relevant systems.

Emily Machel, Farnaz Heidar-Zadeh, Negar Molavi et al. · 0 citations

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