Ab initio simulations of confined molecular systems and photodissociation dynamics

Our research is aimed at studying confined molecular systems via multiscale ab-initio modelling (e.g., supported metal clusters, helium nanodroplets, carbon nanotubes); and the dynamics of molecular photodissociation processes with the goal of controlling them by applying laser fields.

The Multiscale Ab-initio Modelling unit led by M. P. de Lara-Castells is aimed at the fundamental understanding, prediction, control, and modification of the properties and behaviour of molecular systems under different confinement environments towards useful applications in industry.

The Photodissociation Dynamics unit led by A. García Vela aims at studying theoretically the dynamics of photodissociation processes in molecules and molecular clusters, using mainly quantum mechanical methods. One of the main goals of the research developed is the control of such processes by applying external laser fields. Collaboration with experimental groups in the field is actively pursued.


María Pilar de Lara Castells

Alberto García Vela

Patricia López Caballero (graduated student under the Garantía Juvenil program)

Alfredo Serrano Jimenez (graduated student under the Garantía Juvenil program)