MOLECOLAB

MOLECOLAB

Modelling Light
MOLECOLAB

MOLECOLAB

and Environment
MOLECOLAB

MOLECOLAB

in Complex Systems

Seminar Michele Ceotto

Seminar Michele Ceotto

Prof. Michele Ceotto, Università degli Studi di Milano, will be visiting our group from Wednesday 13th To Thursday 14th of February. He will hold a seminar on Wednesday 13th, h....

New Article on JCTC

New Article on JCTC

Polarizable QM/MM models are among the most effective approaches to account for environmental perturbations on quantum chemical systems. In our article on J. Chem. Theory Comput., we extend the polarizable...

Seminar Benjamin Stamm

Seminar Benjamin Stamm

Prof. Benjamin Stamm, RWTH Aachen, will be visiting our group from Tuesday 11th To Friday 14th. He will hold a seminar on Wednesday 12th, h. 16.30, Aula 33 with 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.

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

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