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Accueil > Pages personnelles > POUBELLE > Monari Antonio Home Page

Monari Antonio Home Page

Who I am

At the moment I am ATER at the University of Toulouse III working at LCPQ.

I got my Master (2003) and Ph.D. in Theoretical Chemistry (2007) at the Faculty of Industrial Chemistry of the University of Bologna

From 2007 to 2009 I was awarded a PostDoc fellowship at the University of Bologna. working at the Department of Physical and Inorganic Chemistry of the University.

What I do in a few words

I use and develop mathematics and computers tools to obtain physical and chemical properties of new systems

What I do more explicitly

My main scientific interests are based in the field of Computational Chemistry, mainly related to the development of ab initio computational methods in particular Configuration Interaction exploiting orbital localization, and more recently to Quantum Monte Carlo.

I am also engaged in various fields of application mainly :

- determination of intermolecular potentials and first and second order electric properties.

- modern theory of conductivity and metal insulator transition

- charge transfer mechanism in organic semi-conductors

- carbon nano-systems and surface

- nanometric magnetic 1-D systems

- molecular magnetic systems.

Moreover I am strongly interested in the developing of file formats and libraries to build a Common File Format for Quantum Chemistry to be used in a distributed environment.

And finally, I am also engaged in grid compuation for quantum chemistry in the framework of EGEE/EGI and CompChem virtual organization