Our group is focused on the theoretical study of the dynamics in isolated quantum systems; from the smallest, such as in the interaction of atoms or small molecules with ultrashort laser pulses, to medium-sized systems, such as fullerenes, or extended systems, as in the interaction of molecules with metallic surfaces.
Our aim is to produce theoretical predictions and interpretations that can lead to a better understanding of these systems, following closely the experimental findings, as well as to propose new experimental situations. For that we use state-of-the-art theoretical tools, both home-made and standard: from full-dimensional grid calculations for the hydrogen molecular ion to density functional theory for fullerenes on metallic surfaces.

Prof. Fernando Martín García

Principal investigator and project coordinator. Leader of the computational modelling group.

Alicia Palacios

Associate Professor

Laser-induced attosecond electron dynamics on atoms and molecules. Theory/HPC.

Dr. Juan Cabanillas Gonzalez

Senior Researcher

Pump-probe spectroscopy in donor-acceptor molecular systems

Luis Bañares

Full Professor

Attosecond spectroscopy in the gas phase.

Jesús González Vázquez

Assistant Professor

Simulation of semiclassical dynamics with multiconfigurational methods.

Dr. Roger Bello

Postdoctoral researcher

Simulating the interaction of femtosecond and attosecond pulses of UV and X-ray radiation with molecules.

Gilbert Grell

Postdoctoral Researcher

Simulating charge migration dynamics after ionization with attosecond pulses

Vicent J. Borràs

PhD student

Ultrafast phenomena in molecules

Francisco Fernández

PhD student

Modelling of coupled electron-nuclear dynamics in the gas phase

Celso Manuel González Collado

PhD student

Calculation of photoionization cross sections

Jorge Delgado Guerrero

PhD Student

Attosecond spectroscopy of small organic molecules

Juan Reino González

PhD student

Modelling of nuclear and electronic dynamics in excited molecular systems in gas phase.