2 citations · 4 across the 10 of their papers we have counts for
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Realistic ab initio predictions of excimer behavior under collective light-matter strong coupling
Matteo Castagnola, Marcus T. Lexander, Henrik Koch
Experiments show that light-matter strong coupling affects chemical properties, though the underlying mechanism remains unclear. We present an ab initio quantum electrodynamics cou…
Chiral polaritonics: cavity-mediated enantioselective excitation condensation
Rosario R. Riso, Matteo Castagnola, Enrico Ronca +1
Separation of the two mirror images of a chiral molecule, the enantiomers, is a historically complicated problem of major relevance for biological systems. Since chiral molecules a…
Towards polaritonic molecular orbitals for large molecular systems
Yassir El Moutaoukal, Rosario R. Riso, Matteo Castagnola +1
A comprehensive theoretical understanding of electron-photon correlation is essential for describing the reshaping of molecular orbitals in quantum electrodynamics (QED) environmen…
Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons
Matteo Castagnola, Marcus T. Lexander, Enrico Ronca +1
We analyze the real-time electron-photon dynamics in long-range polariton-mediated energy transfer using a real-time quantum electrodynamics coupled cluster (RT-QED-CC) model, whic…
Theory of magnetic properties in QED environments: application to molecular aromaticity
Alberto Barlini, Andrea Bianchi, Enrico Ronca +1
In this work, we present ab initio cavity QED methods which include interactions with a static magnetic field and nuclear spin degrees of freedom using different treatments of the…