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Institut des Sciences Analytiques et Physico-Chimique pour l'Environnement et les Matériaux (IPREM)
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    Germain VallverduMaître de conférence

    • Education
    • Skills
    • Research interests
    • Projects
    • Publications

    Education

    Professional

    • Depuis 2010 : Université de Pau et des pays de l’adour, Maître de conférences - Theoretical chemistry and computational approaches

    • 2009 – 2010 : postdoctoral position, CEA – DAM -  Development and implementation of mesoscopic models for shock waves propagation in heterogeneous systems.

    • 2006 – 2009 : Phd Student, Université Paris-Sud 11 - Theoretical study of photophysical processes in fluorescent proteins.

    Education

    • 2006-2009 : PhD in chemistry, spectiality theoretical chemistry, Université Paris-Sud 11

    • 2003-2006 : Magistère de Physico-Chimie Moléculaire, Université Paris Sud-11, ENS Cachan

    • 2004-2006 : Master degree of chemistry, speciality molecular chemical-physics, Université Paris-Sud 11

    • 2003-2004 : Bachelor Degree of chemical-physics, Université Paris-Sud 11

    Skills

    • Theoretical chemistry

    • Computational chemistry and numerical simulations

    • Solid state quantum chemistry

    • Molecular dynamics and multi-scale approaches

    • Development of codes for new methods and simulation analysis.

    Research interests

    My research activities concern the development of original computational strategies, combining several methods at different scales or level of approximations, in order to be able to investigate complex systems or for coupled experimental-theory studies. Application fields mainly concern the investigation of surfaces and interfaces systems and deals with chemical reactivity, thermodynamics, spectroscopy or dynamic processes.

     Recent research activities
    • Surface reactivity of lamellar lithium oxydes using a coupled experience-theory approach. The main contribution consists in first principle simulations of the electronic processes taking place after adsorption of a gaz probe molecules at the surface of the material in order to help at the interpretation of experimental results from XPS charaterization and improve the knowledge of phenomenon taking place.

    • Theoretical methods for the calculation of core level binding energies.

    • Aggregation of asphaltenes and complex matrices analysis. The aim of this subject is to get a better insight in the chemical and physical parameters and mechanisum associated to the aggregation of asphaltenes molecules.

    Projects

    RS2E : French research network on electrochemical energy storage http://www.energie-rs2e.com/

    C2MC : Complex matrices molécular characterization https://c2mclab.wordpress.com

    Publications