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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

Alessandro Troisi

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Open access Aug 2026

Computation of Nonradiative Rates for High-Throughput Virtual Screening: Application to the Discovery of Potential TADF Molecules

High-throughput virtual screening of molecules with suitable electronic properties rarely includes the computation of photophysical rate constants as target quantities. In this work, we develop a fully automated screening workflow capable of computing reverse intersystem crossing (RISC) rates for a large set of systems...

Teodoro Pizza, Alessandro Troisi, A. Capobianco · 0 citations
Open access Sep 2026

Predicting room temperature phosphorescence of new organic molecules by combining physical models and data-driven methods

The rational discovery of new RTP emitters remains challenging because phosphorescence depends on multiple competing processes, including intersystem crossing, nonradiative decay, and competition with fluorescence. While several mechanistic hypotheses have been proposed, like enhanced spin–orbit coupling, reduced energ...

Xia Wu, Alessandro Troisi · 0 citations

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