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.

Seminar today

Seminar today: Chris-Kriton Skylaris

Chris-Kriton Skylaris (), from the School of Chemistry, University of Southampton (UK) will be giving a seminar today at 16:30 at the Department of Chemistry, room 032.

The title of the seminar is
The ONETEP program for linear-scaling density functional theory calculations of materials.