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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Luigi Crisci

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2 papers indexed here

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Sep 2026

A Continuous Transferable Core–Valence Geometry Correction

Core–valence (CV) correlation causes systematic milliangstrom-scale bond contractions in main-group molecules. We develop an analytic radial model for the structural all-electron–frozen-core (AE–FC) correction otherwise obtained from explicit second-order Møller–Plesset perturbation theory (MP2) calculations. Calibra...

F. Lazzari, L. Crisci, Vincenzo Barone · 0 citations
Jul 2026

Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and Aspirin.

The rigid-rotor/harmonic-oscillator model is often insufficient for unbiased comparison with high-resolution microwave data and infrared measurements of medium-sized molecules, but direct high-level anharmonic force fields are rarely affordable for targets with many tens of normal modes. Here, we examine a pragmatic qu...

Vincenzo Barone, J. Bowman, Luigi Crisci et al. · 0 citations

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