Working group 2 workshop of the COST action CA18222 | 17-19 February 2021 | Organized On-line

The activity of WG2 focuses on computational tools for the description of attosecond electron and nuclear dynamics and its goal is the development or adaptation of new theoretical techniques for the description and imaging of ionization and electron dynamics in molecules.

The topic of the workshop: Models and numerical methods for the description of ionization and electron dynamics in molecules.

Local organizer

Faculty of Physics, Babeș-Bolyai University

Local Organizing Committee

Prof. Ladislau Nagy | Dr. Sándor Borbély | Dr. Ferenc Járai-Szabó | Dr. Katalin Nagy-Póra | Dr. Tóth István

Action web page


questions about COST rules:

questions to local organizers:

Conference link

The conference has been organized on the ZOOM platform.

The recorded presentations are available on the ATTOCHEM Youtube channel

Access the ATTOCHEM Youtube channel

Important dates

  Registration for speakers: December 16, 2020

  Abstract submission: January 20, 2021

  Registration for other participants: January 20, 2021


Registration closed.


The Book of Abstracts is published: download from here


Hours are in Central European Time (CET)

February 17

950–1000 Opening

Chair: Fernando Martín

1000–1040 Iva Brezinova The time-dependent two-particle reduced density matrix method1200-1230 Meet the speaker

1040–1120 Loïc Joubert-Doriol From low-energy nonadiabatic dynamics to attochemistry1200-1230 Meet the speaker

1120–1200 Elke Fasshauer Fano meets Nuclei — How nuclear degrees of freedom influence time-resolved spectroscopy of electronic decay processes1200-1230 Meet the speaker

1200–1330 Break

Chair: Stefanie Gräfe

1330–1410 Aurélien de la Lande Promises of Auxiliary DFT to investigate radiation chemistry problems1540-1610 Meet the speaker

1410–1440 Felipe Zapata Abellan Implementation and validation of the relativistic transient absorption theory within the dipole approximation1540-1610 Meet the speaker

1440–1510 Thierry Tran Control of electron-nuclear dynamics with IR pulse: simulation with Quantum-Ehrenfest1540-1610 Meet the speaker

1510–1540 Hakon Volkmann Laser-field induced channel closings in molecular excitation1540-1610 Meet the speaker

February 18


Chair: Nicolas Sisourat

1000–1040 Axel Schild Many-electron effects of strong-field ionization described in an exact one-electron theory1200-1230 Meet the speaker

1040–1120 Vicent J. Borràs The XChem code: molecular-frame photoelectron angular distributions1200-1230 Meet the speaker

1120–1200 Karl Michael Ziems Quantum mechanical simulations of attosecond XUV ionisation dynamics using atomic and molecular model systems1200-1230 Meet the speaker

1200–1330 Break

Chair: Aurora Ponzi

1330–1410 Alejandro Saenz A more detailed look into enhanced ionization in intense laser fields1540-1610 Meet the speaker

1410–1440 Andrej Mihelic Multiphoton ionization of few-electron systems: amplitudes and cross sections1540-1610 Meet the speaker

1440–1510 Sándor Borbély Wave function splitting technique used for the study of interference effects1540-1610 Meet the speaker

1510–1540 Patryk Jasik Quantum dynamics in systems with weak and strong couplings. The special case of Ag2-1540-1610 Meet the speaker

February 19


Chair: Graham Worth

1000–1040 Jimena Gorfinkiel R-matrix approaches to molecular photoionization1210-1240 Meet the speaker

1040–1110 Alexander Kuleff Ultrafast non-adiabatic dynamics in molecules following ionization1210-1240 Meet the speaker

1110–1140 Katalin Kovács Macroscopic modeling of attosecond pulse generation1210-1240 Meet the speaker

1140–1210 Jakub Benda "Molecular delay" is Wigner delay1210-1240 Meet the speaker

1210–1340 Break

Chair: Ladislau Nagy

1340–1410 Zdenek Masin Localization of Siegert states in multi-electron molecular R-matrix calculations and applications to analysis of dissociative electron attachment in pyrrole1520-1550 Meet the speaker

1410–1440 András Csehi Probing strong-field two-photon transitions through dynamic interference1520-1550 Meet the speaker

1440–1510 Torsha Moitra Theoretical Description of Photoionization Observables1520-1550 Meet the speaker

1510–1520 Closing remarks

Technical details

The meeting will take place on ZOOM platform. There will be one single access link for all sessions during the entire conference and it will be published on the webpage. The access code will be provided to the registered participants by email on Tuesday, 16th February.

The Zoom Client for Meetings is available for download here: download zoom client.

All participants should provide to the Zoom client their full name (which will be visible to the other participants of the meeting).

Authors with oral presentations should use the Share screen option of the ZOOM platform

All speakers, who wish to test screen sharing and presenting in Zoom, are welcome to join a free pre-conference Zoom meeting on Tuesday, 16th February between 3 and 4 pm (CET).

All chairs, who wish to discuss the technical details of the session, are welcome to to join a free pre-conference Zoom meeting on Tuesday, 16th February between 2.30 and 3 pm (CET).

During conference presentations the audience is kindly asked to keep the microphone muted.

The discussion is managed by the Chair of the session. If a participant wants to address a question, the Raise hand button has to be clicked either from Reactions menu or from the Participants list.

After each session there will be Discussion Rooms (“Meet the speaker”) at the Zoom platform, where the registered participants can discuss with each speaker from the session. The links for these discussion rooms will be provided on the web page of the meeting in the program section. The passcode will be sent to each registered participant (the same as for the meeting).

The meeting is interactive only for registered participants. However, the sessions are streamed live for a larger public on YouTube.