COST/ZCAM School on New Computational Methods for Attosecond Molecular Processes
Location: CECAM-ES (Zaragoza)
Organisers
The recent production and characterization of coherent light pulses with durations as short as a few tens of attoseconds (1 as = 10-18 seconds), either in the lab from high harmonic generation or in large scale X-ray free electron facilities, allows one to image and control electronic motion in matter at its natural time scale. Thus, it is now possible to examine in real time light-induced electron and charge transfer processes producing excitons (electron-hole pairs) that can separate along a given molecule or material, or ionic fragments following ionization of the system. These mechanisms eventually lead to electronic currents, which are the underlying mechanisms for fundamental processes that occur in nature such as photooxidation, electronic transport or radiation damage, and are at the focus of research in the recently born field of Attosecond Chemistry (see, e.g, recent reviews by one of the applicants [1,2]). The potential of this field is recognized by the European Research Council and COST Action association, with the recently awarded Synergy Grant TOMATTO (“The ultimate time scale in organic molecular opto-electronics, the attosecond”) with € 11,7 million (GA nº 951224) or the AttoChem network [3], both chaired by one of the organizers. This new field is being further boosted by the large worldwide investments in new facilities that generate these coherent ultrashort intense pulses, namely the high-harmonic generation sources (ELI-ALPS, international laser user facility in Europe) and X-ray free electron lasers (European XFEL, SwissFEL, FERMI-Italy, LCSL-USA, XFEL-SACLA-Japan). The inherent complexity of most ongoing and forthcoming experiments performed with these light sources inevitably requires theoretical support able to describe the interaction of such ultrashort pulses with atoms, molecules, and solids, as well as the ensuing coupled electron and nuclear dynamics with attosecond resolution. This goes beyond the capabilities of commercially available quantum-chemistry packages, in particular, when ionization processes come into play, as it is the case when XUV and X-ray frequencies or large laser intensities are employed. For this reason, new theoretical methods and computational tools, not yet commercially available, have been developed during the last decade [1,2]. The goal of the school is to provide a solid theoretical basis and give access to the newly developed computational tools to describe electron and nuclear dynamics following ionization by attosecond pulses, as well as the high harmonic generation process that leads those pulses. The lectures of the school are structured to introduce these methods in increasing order of complexity: state-of-the-art ab-initio and hybrid time-dependent systems, as well as more advanced methods that can cope with the electronic continuum of molecules, with an emphasis on unbound states in strong-fields and on the need to go beyond single-active-electron models to properly account for electron correlation (see recent applications of these novel methods introduced in the school in references [4]-[7]). The school is directed to advanced PhD students and young post-doctoral researchers in atomic and molecular physics, theoretical chemistry and applied mathematics, with an interest in developing new software for coherent control of electronic dynamics in systems of chemical interest.
This school is co-organised by COST Action CA22148 NEXT (https://www.cost.eu/actions/CA22148/), supported by COST (European Cooperation in Science and Technology).
COST (European Cooperation in Science and Technology) is a funding agency for research and innovation networks. Our Actions help connect research initiatives across Europe and enable scientists to grow their ideas by sharing them with their peers. This boosts their research, career and innovation. https://www.cost.eu/. COST is supported by the European Union.
References
Caterina Vozzi (Consiglio Nazionale delle Ricerche) - Organiser
Spain
Fernando Martin (Universidad Autonoma de Madrid) - Organiser
Laura Rego (ICMM - CSIC) - Organiser
Cristian Svetina (IMDEA Nanociencia) - Organiser