Molecolab is a research group at the Department of Chemistry of the University of Pisa, Italy.

Our main research is in computational chemistry.

We develop and apply multi-scale models to treat environment effects in quantum chemistry simulations.

We developed QM/continuum (IEFPCM, ddCOSMO) and polarizable QM/MM (MMPol, AMOEBA) models to study properties and processes of molecular systems in solution and in more complex environments.

We have also merged the three layers (QM/MMPol/PCM) to describe the effects of plasmonic nanoparticles on photoinduced processes of supramolecular systems.

We employ QM-based approaches to simulate excitonic processes in multichromophoric systems.

We study light-driven processes in biological systems using multiscale approaches based on quantum chemical descriptions.