MOLECOLAB

MOLECOLAB

Modelling Light
MOLECOLAB

MOLECOLAB

and Environment
MOLECOLAB

MOLECOLAB

in Complex Systems

New article on The Journal of Physical Chemistry B

New article on The Journal of Physical Chemistry B

Accurately simulating optical spectra for multichromophoric systems is fundamental to assess the validity of quantum chemical calculations. However, it is a complicated challenge, owing to the interplay of electronic and...

New article on Physical Chemistry Chemical Physics

New article on Physical Chemistry Chemical Physics

Can we obtain accurate optical properties for disordered pigment protein complexes? In our new article published in PCCP we use fully atomistic description to simulate optical spectra of the LHCII...

New perspective on Physical Chemistry Chemical Physics

New perspective on Physical Chemistry Chemical Physics

What are the new directions in multiscale QM/MM simulations? In our new perspective we share our point of view on the future of polarizable QM/MM, with a focus on the...

 

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

● ● ●
molecolab.dcci.unipi.it
Powered by Dcci-Unipi
Privacy Policy