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The research carried in this laboratory aims to develop a multiscale computational nanoscience to study the formation and fate of nanoparticles in the environment. The use of multiscale methods, such as the Kinetic Monte Carlo technique combined with Molecular Dynamics, makes it possible to follow the transformations that occur during nanoparticle formation and their interactions with other systems in a chemically specific way, providing information on both the chemical structure and the configuration of the system (i.e. their agglomerates).



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