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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

I. M. Syed

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Preprint Sep 2026

First-principles investigation of structural, mechanical, vibrational, thermal, electronic and optical properties of Na3Bi: a topological Dirac semimetal

Exploring the properties of topological materials has remained an active area of research in condensed matter physics for the past few decades. Here, we present a first-principles investigation of the structural, elasto-mechanical, thermal, electronic, and optical properties of Na3Bi, one of the earliest discovered top...

M. Fahmida, Syed Shovon Mahbub Mahin, Suptajoy Barua et al. · 0 citations
Preprint Sep 2026

Adsorption of Phosgene Gas on Pristine and Noble Metal-Doped B12N12 Nanocages: Insights from Density Functional Theory

This study examines phosgene (COCl2) adsorption on pristine and noble metal-doped (Ag, Au, Pd, Pt) B12N12 nanocages using dispersion-corrected density functional theory [B3LYP-D3(BJ)]. Boron-site substitution narrows the HOMO-LUMO gap far more than nitrogen-site substitution (69-82% vs 41-67%) and was adopted throughou...

Shahariar Chowdhury, M. Matin, Samiran Bhattacharjee et al. · 0 citations

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