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IQTC Internal Seminar June 14

On Thursday 14th of June we have the next session of the IQTC internal seminars. It will take place as usual at the Sala d’Actes of the Department of Material Sciences and Physical Chemistry at 12h.

Pablo Blanco Andres
Title :  Coupling conformational and ionization equilibria to model polyelectrolyte stretching
Abstract : In this talk, theoretical and simulation models for intramolecular interactions in polymers will be reviewed. A recently proposed model for polyelectrolytes will be introduced: the Site Binding Rotational Isomeric State (SBRIS). In particular, the effect of coupling conformational and ionization equilibrium in poly(ethylene)imine stretching is studied by Monte Carlo simulation.

Alejandro Martín Rodríguez
Title : Single-molecule electronic transport properties: Magnetoresistance and switching behaviour
Abstract : Single-molecule electronic transport tries to go further in the miniaturisation of electronic devices predicted by the Moore’s law. 4-(phenyldiazenyl)benzenethiol can work as a regular switch (ON and OFF states) controlled by light and diphenilmetalloporphyrins presents very high conductance and magnetoresistance (spin-polarized electron currents) similar to spin valves. Building reliable molecular circuits is still a very difficult task, but the reduction of the size and the new phenomena introduced by molecular electronics constitutes a promising field to new electronic devices.