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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

A. de la Lande

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Sep 2026

Electron dynamics simulation of photoionization of N2 using Gaussian basis sets optimized for the continuum.

We explore the capability of real-time time-dependent auxiliary density functional theory (RT-TD-ADFT) to capture photoionization of the nitrogen molecule when employed in combination with atomic Gaussian basis sets optimized for the continuum (AOC). The molecule is ionized by an ultrashort laser pulse in the near- and...

Roberta Leonetti, F. Agostini, A. de la Lande · 0 citations
Aug 2026

AMOEBA Polarizable Atomic Multipole Force Field Parameters for Flavins.

Computation of redox potential of cofactors in biological systems requires an accurate description of the interaction between the redox cofactors and the biomolecular environment and extensive conformational sampling. Seeking to achieve a quantitative leap in redox potential evaluation for flavoproteins, we report here...

M. Aeck, A. de la Lande, Carine Clavaguéra et al. · 0 citations

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