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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

Jiashu Liang

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Preprint Nov 2026

Subtle Energy Corrections Reshape Condensed-Phase Property Predictions from a Machine-Learning Interatomic Potential

Accurate reproduction of electronic-structure labels by machine-learning interatomic potentials does not necessarily ensure reliable condensed-phase properties. We investigate the effects of basis-set superposition error (BSSE) and an explicit Axilrod-Teller-Muto (ATM) three-body dispersion contribution on molecular-li...

Hai-Hui Wang, Xin-Yan Wang, Jia-Shu Liang et al. · 0 citations
Preprint Aug 2026

Efficient, precise DFT calculations of NMR shieldings: Revisiting the finite field approach

Absolute nuclear magnetic shielding constants and relative chemical shifts are second-derivative response properties that underpin the interpretation of Nuclear Magnetic Resonance (NMR) spectra and provide critical insights into the structural and electronic environments of diverse chemical systems. However, their accu...

Xiao Liu, K. Nanda, Jiashu Liang et al. · 0 citations

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