Computational Physics:

We use computational simulation techniques such as Molecular Dynamics (MD), Monte Carlo (MC), Tight-binding Molecular Dynamics (TBMD) and "ab initio" electronic simulation methods to understand and predict materials properties of nanomaterials such as Carbon nanotubes and metallic nanowires.

Simulation of Gold Nanowires

Gold nanowires are very interesting systems with great potential applications as a major player in nanodevices.

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The effect of impurities in Gold Nanowires

Molecular simulations with classical potentials:

Diffusion of surface clusters

Many problems can be addressed with the use of MD simulations. We apply MD simulations to study growth of islands in surfaces, diffusion of clusters in surfaces. We can also complement studies of nanostructures using MD. One example of this line of research is the dymamical evolution of a simetrical Pd7 cluster on a Pd(111) surface

2-D planar symmetrical Pd7 cluster on a Pd(111) surface

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