Surface-enhanced Raman scattering (SERS) provides detailed information about the
binding of molecules at interfaces and their interactions with the local environment due to …

In the past few decades, quantum mechanical (QM) modelling has moved from isolated
molecules made of few atoms to large supramolecular aggregates embedded in complex …

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

We present quantum mechanics (QM)/frequency dependent fluctuating charge (QM/ωFQ)
and fluctuating dipoles (QM/ωFQFμ) multiscale approaches to model surface-enhanced …

Optical properties of metal nanostructures are the basis of several scientific and
technological applications. When the nanostructure characteristic size is of the order of few …

We describe the development, implementation, and application of a polarizable QM/MM
strategy, based on the AMOEBA polarizable force field, for calculating molecular properties …

Plasmonic systems, such as metal nanoparticles, are widely used in different areas of
application, going from biology to photovoltaics. The modeling of the optical response of …

Terahertz spectroscopy is a perfect tool to investigate the electronic intraband conductivity of
graphene, but a phenomenological model (Drude-Smith) is often needed to describe …

Chiroptical properties and spectroscopies are valuable tools to study chiral molecules and
assign absolute configurations. The spectra that result from chiroptical measurements may …

The multidisciplinary nature of the research in molecular nanoplasmonics, ie, the use of
plasmonic nanostructures to enhance, control, or suppress properties of molecules …