1. Simulation of reaction-diffusion processes in dense systems: gels and intracellular systems
- Development of models by Monte Carlo simulation and Brownian Dynamics for the study of anomalous diffusion processes. Application of instrumental techniques for the characterization of the mentioned processes (Fluorescence Correlation Spectroscopy, FRAP, etc.).
- Application to the study of the mechanisms of enzymatic catalysis similar those that takes place in vivo.
2. Physical chemistry of the macromolecular complexation in colloidal systems
Development of statistical mechanics methods, Monte Carlo simulation and Molecular Dynamics for the study of the polyelectrolyte effect in macromolecular complexation.- Study of the effect of the heterogeneity and the competition between counterions in macromolecular complexation. Application to the speciation of heavy metals in natural aquatic systems.
- Characterization of biopolymers (DNA, proteins, etc.) by means of the study of the electrostatic potential profiles around the surface.
3. Adsorption, aggregation and fractal growth phenomena
4. Molecular properties in phase gas and solution