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.