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Computational chemistry, Modelling, and X-rays team (CoMX)

Published on 10 October 2025
CoMX Members


Martin J. Field

CEA Researcher

Yohann Moreau

Université Grenoble Alpes Assistant Professor
Ph.: 04 38 78 29 62
    

Giulia Veronesi

CNRS Researcher
Ph.: 04 38 78 48 48

Ragnar Björnsson

CEA Researcher
Ph.: 04 38 78 29 63


Presentation
Our group brings together experts in computational and quantum chemistry methods (DFT, WFT, QM/MM), classical simulation (MD, Docking), and synchrotron X-ray techniques (XAS, XRF).

We make use of these methods to investigate the structure and reactivity of metalloenzymes, metal complexes, and metallic nanoparticles. We are involved in several collaborations with experimental chemists and biologists of the LCBM, as well as with local and international partners.