Training School on new theoretical methods for attosecond molecular processes

Training School on new theoretical methods for attosecond molecular processes

  • Posted by Grant Holder Manager
  • On 28 April 2021
  • attosecond molecular processes, theoretical methods, training school

The purpose of this school was to provide training and networking opportunities for researchers in the field of computational tools for the description of attosecond electron dynamics, which are particularly timely and relevant for the goal of WG2 within the Action. It introduced state-of-the-art ab-initio, hybrid and TDDFT numerical methods that can cope with ultra-fast dynamics in 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.

The main organisers of the activity were Prof. Fernando Martin and Dr. Alicia Palacios, and it was co-organized with the Spanish node of the Centre Européen de Calcul Atomique et Moléculaire (CECAM) and the network of postgraduate studies in Theoretical Chemistry (TCCM). The school was adapted to be delivered online due to the pandemic. The final schedule can be found here:

Theoretical lessons were delivered through a conference platform and recorded to allow access regardless of their time-zone and to review those aspects that could have remained unclear. Hands on training, which were considered the key component of the school, was provided allowing individual access to scientific codes in computational platforms and virtual servers. Trainees were guided online how to run different examples using several scientific codes (Molcas, XChem, tRex, tsurff, octopus) and the access was maintained for several weeks after the school to allow finishing the exercises proposed. This allowed to keep the essence of the school and to reach a higher number of participants, and from different locations, than if it had taken place in person.

The school materials were available on demand for several weeks after the event. Training materials (such as supporting documents and slides) will be soon available on the Action website.

According to the feedback received by participants, which was very positive, the Action might consider to organise new editions of the school in the coming years.


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