MOLECOLAB

MOLECOLAB

Modelling Light
MOLECOLAB

MOLECOLAB

and Environment
MOLECOLAB

MOLECOLAB

in Complex Systems

New Article on The Journal of Physical Chemistry

New Article on The Journal of Physical Chemistry

Studies in cell biology often depend on imaging techniques with high spatial and temporal resolution. To this end, many artificial fluorescent protein were developed and are widely employed as molecular...

Activation mechanism of Orange Carotenoid Protein now published in JACS

Activation mechanism of Orange Carotenoid Protein now published in JACS

Activation in photoresponsive proteins occurs in different steps: a first “ultrafast” photochemical reactions triggers a cascade of conformational changes, which lead to an active form of the protein.

New article on the Journal of Chemical Physics

New article on the Journal of Chemical Physics

Photoinduced energy and charge transfer processes are fundamental in many biological and chemical processes. In this work, in collaboration with Prof. Neugebauer’s group, we compared different approaches for the calculation...

 

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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