MOLECOLAB

MOLECOLAB

Modelling Light
MOLECOLAB

MOLECOLAB

and Environment
MOLECOLAB

MOLECOLAB

in Complex Systems

Our article in Chemical Science featured as Front Cover

Our article in Chemical Science featured as Front Cover

Our article on light adaption in light-harvesting complexes of purple bacteria is featured as front cover in Issue 42 of this year's Chemical Science.

New Article on Chemical Science

New Article on Chemical Science

Purple bacteria can adapt their antenna complexes in response to light conditions, tuning the absorption wavelength through changes in the protein sequence. In our latest study on Chemical Science, we...

New review in Biochimica et Biophysica Acta (BBA) - Bioenergetics

New review in Biochimica et Biophysica Acta (BBA) - Bioenergetics

 We review recent progress in the atomistic modeling of pigment-protein complexes of photosynthetic organisms outlining the challenges of this type of models for the description of the mechanisms which regulate...

 

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.

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

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