Polaritonic chemistry exploits strong light–matter coupling between molecules and confined
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …

Research on light-driven catalysis has gained tremendous importance due to the ever-
increasing power consumption and the threatening situation of global warming related to …

Molecular polaritons are hybrid light-matter states that emerge when a molecular transition
strongly interacts with photons in a resonator. At optical frequencies, this interaction unlocks …

Nowadays, hybrid QM/MM approaches are widely used to study (supra) molecular systems
embedded in complex biological matrices. However, in their common formulation, mutual …

Quantum mechanics/molecular mechanics (QM/MM) hybrid models allow one to address
chemical phenomena in complex molecular environments. Whereas this modeling approach …

The coherent interaction of a large collection of molecules with a common photonic mode
results in strong light-matter coupling, a feature that has proven highly beneficial for …

Computational spectroscopy is an invaluable tool to both accurately reproduce the spectra
of molecular systems and provide a rationalization for the underlying physics. However, the …

Molecular spectral signals can be significantly altered by solvent effects. Among the many
theoretical approaches to this problem, continuum and atomistic solvation models have …

Polariton chemistry exploits the strong interaction between quantized excitations in
molecules and quantized photon states in optical cavities to affect chemical reactivity …

Plasmonic nanocavities enable the confinement of molecules and electromagnetic fields
within nanometric volumes. As a consequence, the molecules experience a remarkably …