MOLECOLAB

MOLECOLAB

Modelling Light
MOLECOLAB

MOLECOLAB

and Environment
MOLECOLAB

MOLECOLAB

in Complex Systems

Our study on a bacterial antenna complex published in Photosynthesis Research

Our study on a bacterial antenna complex published in Photosynthesis Research

Purple bacteria synthesize highly symmetric protein complexes which contain bacteriochlorophyll and carotenoid pigments, and serve as molecular antennas to harvest sunlight. These antenna complexes called LH2 come in diverse shapes...

New Article in The Journal of Physics: Condensed Matter

New Article in The Journal of Physics: Condensed Matter

Electronic couplings are key to understanding exciton delocalization and transport in natural and artificial light harvesting processes. We develop a method to compute couplings in multichromophoric aggregates embedded in complex...

New Article in the Journal of Chemical Physics

New Article in the Journal of Chemical Physics

The function of light-harvesting complexes is determined by a complex network of dynamic interactions among all the different components: the aggregate of pigments, the protein, and the surrounding environment. Complete...

logo soloMoLECoLab (Modeling Light & Environment in Complex Systems) is a research group at the Department of Chemistry of the University of Pisa. Our research mainly focuses on the development of multi-scale approaches based on the integration of quantum chemistry and classical models and their implementation in efficient computational codes.
The classical models combine continuum (IEFPCM, ddCOSMO) and polarizable MM (MMPol, AMOEBA) descriptions in a fully coupled way.
The main field of application of our methods is the simulation of light-driven processes in molecules or supramolecular aggregates embedded in complex environments going from biomatrices to composite systems where different “objects” of molecular, nano and mesoscopic scale are coupled together.

 

NEW VIDEO: LHCII

NEW VIDEO: LH2 hq

Molecolab
Dipartimento di Chimica e Chimica Industriale
Via Giuseppe Moruzzi, 13
56124 - Pisa, Italy

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