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Author

Maxim F. Gelin

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Open access Aug 2026

Simulated transient absorption reveals torsion-dependent nonradiative relaxation in a near-infrared nanographene emitter

Functionalized nanographenes are emerging near-infrared emitters, yet the microscopic pathways underlying their ultrafast excited-state dynamics remain elusive. Here, we combine atomistic nonadiabatic simulations with transient absorption (TA) modeling to analyze the relaxation mechanisms in a donor–acceptor nanographe...

Royle Perez-Castillo, V. M. Freixas, H. Negrin-Yuvero et al. · 0 citations
Preprint Aug 2026

An Ab initio Framework for Simulating Ultrafast Nonlinear Cavity Quantum Electrodynamics Spectra

In this letter we introduce a theoretical framework for the simulation of ultrafast transient absorption pump-probe spectra of molecular polaritons. We derive and implement the cavity quantum electrodynamics (QED) evolution equations of polaritonic states within the framework of the quasi-classical doorway-Window pprox...

Luis Vasquez, Ke-Wei Sun, Hai-Bo Ma et al. · 0 citations

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