Open source projects

MAICoS. The Molecular Analysis for Interfacial and Confined Systems (MAICoS) is an object-oriented python toolkit for analysing the structure and dynamics of interfacial and confined fluids from molecular simulations. Combined with MDAnalysis, MAICos can be used to extract density profiles, dielectric constants, structure factors, or transport properties from trajectories files, including LAMMPS, GROMACS, CHARMM, or NAMD data.

LAMMPS tutorials. Molecular simulations courses and scripts for beginners based on the code LAMMPS. The page includes step-by-step tutorials for molecular dynamics, Monte Carlo, and umbrella sampling simulations. Videos related to these tutorials are available on Youtube, and scripts are available on Github. Feedback are always welcome.

About me

I am a computer physicist in soft matter and fluids at interfaces. I am principally using molecular simulations to study the behavior of fluid confined in nanoporous materials. I did my PhD in the liquid at interfaces team at Université de Lyon (France), followed by postdoctoral contracts at the Universidad Adolfo Ibáñez in Viña del Mar (Chile), Queen Mary University of London (UK), and Universität Stuttgart (Germany).

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Selected publications

Click here for my full list of publications