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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

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Martina Kieninger

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Sep 2026

Conformational Analysis, Intramolecular Interactions, and Anharmonic Vibrational Spectra of the 2-Chloroethyl Chalcogenol Triad (X = O, S, Se).

We present a systematic computational study of the conformational space, intramolecular bonding, and anharmonic vibrational spectra of 2-chloroethanol (ClCH2CH2OH), 2-chloroethanethiol (ClCH2CH2SH), and 2-chloroethaneselenol (ClCH2CH2SeH), together with their 1-chloro isomers. Conformational searches with the CREST/iMT...

Martina Kieninger, Aline Katz, O. Ventura · 0 citations
#large language models Review Open access Dec 2026

VirtualLab_CC: An LLM-augmented virtual laboratory for automated computational chemistry research

Recent advances in large language models (LLMs) have opened new avenues for automating scientific research workflows. Systems like the AI Scientist [1] demonstrate fully autonomous endto-end research pipelines for machine learning, but their applicability to domains requiring expensive high-performance computing (HPC)...

Martina Kieninger, Marc E. Segovia, Mauricio Vega-Teijido et al. · 2 citations

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