2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments

The Abdus Salam International Centre for Theoretical Physics (ICTP) and the International Atomic Energy Agency (IAEA) will jointly organize this School and Workshop to be held at ICTP in Trieste, Italy, from 16 to 20 April 2018. The event will provide training and information exchange for computational scientists working on models and data for atomic, molecular and materials processes relevant to fusion energy research, industrial plasmas, laser-produced plasmas, astrophysical plasmas, and warm and hot dense matter. The training is aimed at advanced Ph.D. students, postdocs and other young researchers. The information exchange will span several disciplines: from molecules to materials and from method developments to data treatments. Topics related to energetic events and excited electronic states are emphasized throughout the programme. The schedule features lectures by international experts, invited and contributed research talks, posters and discussion sessions, with ample time available for interaction and discussions.

Dates: 16 to 20 April 2018

Location: ICTP - Miramare, Trieste, Italy

Deadline: 24 November 2017. Late applications not requesting financial support can be considered while space permits.

Directors: Hyun-Kyung Chung (Gwangju Institute of Science and Technology, Korea), Bastiaan J. Braams (CWI, Amsterdam, Netherlands), Gábor Csányi (University of Cambridge, UK), Attila G. Császár (MTA-ELTE Complex Chemical Systems Research Group, Budapest, Hungary) and Anna I. Krylov (University of Southern California, Los Angeles, USA).
Local organizer: George Thompson (ICTP).
Administrative support: Ms Doreen Sauleek (ICTP).
Email: smr3197@ictp.it.

ICTP Activity Website (event smr3197).

ICTP Activity Announcement (A3 Poster).

Applications for participation are due by Friday 24 November 2017. After 24 November the organizers will commit the budget and the housing allocation. Late applications by highly qualified persons can be considered as long as space permits, but the organizers will not be able to provide financial support for late applicants. Interested persons may contact the organizers for instructions about a late application. There is no registration fee for attending the event and accommodation at ICTP or in the vicinity is available at low cost.

We encourage applications from around the world. In order to apply please access the online application form at the ICTP activity website. A scientific contribution (normally a poster, but some may be selected for a talk) is expected from each participant. Applicants are requested to attach a one-page abstract of their contribution in the Research Abstract sub-section under Professional Data when completing the online application form.

A number of poster prizes will be awarded, courtesy of the journal Physical Chemistry Chemical Physics (PCCP). The poster boards have dimension 1.25m (height) by 1.22m (width), so they can accommodate an A0 poster in either portrait or landscape mode.


Atomic and molecular processes, plasma-material interaction and material properties are extremely important in plasma applications including fusion energy research, astrophysical science, laser- produced plasmas and other plasma environments and their investigation requires sophisticated methods for electronic structure computations and nuclear dynamics. Electronic structure theory is at the core of all investigations and one common thread throughout the applications for plasma environments is the need to consider excited electronic states. Essentially every atomic or molecular collision process that is of interest has the possibility of charge transfer, and it means that at least two electronic states are relevant, while for the case of electron-atom and electron-molecule collisions there is no a priori bound to the number of relevant electronic states. For high energy particle-material interactions, including radiation damage processes, the treatment of electronic excitation is a particular challenge that is the subject of active fundamental work. A second common thread that will be emphasized in this school and workshop is the need to provide uncertainty estimates for computed data. In many cases development of the basic tools for uncertainty assessment for computed data is a topic of active research.

A broad community is involved in the development of atomic, molecular and materials data for plasma applications, ranging from those that do fundamental methods development to those that perform the best possible applied computations. Both on the side of methods development and on the side of applications there is significant overlap between the molecular and the materials side, especially as fundamental electronic structure methods for atoms and molecules are increasingly being applied for materials as well. The school and workshop will assemble a cross section of this broad community. The programme will feature lectures on fundamental methods, a few survey talks on applications, and contributed talks and posters ranging from methods development to significant applications.




The desired participants by application are researchers working in the field of modelling and simulation of atomic, molecular and plasma-material interaction processes and related materials properties in connection with fusion energy research, astrophysical science, laser- produced plasmas and other plasma environments. Some participants will come from a plasma applications background, but then they need to be acquainted already with computational methods in atomic, molecular or materials science, so familiar with relevant electronic structure theory, quantum dynamics or molecular dynamics approaches. Other participants will come from theoretical atomic, molecular or materials science and for those participants we expect that their work is concerned with or at least is relevant to applications in a plasma context. The event is not for beginning PhD students, but it could be valuable for established researchers that want to broaden their outlook.

Applications for participation are accepted through the ICTP webpage for this event. A scientific contribution (normally a poster, but some may be selected for a talk) is expected from each participant. Applicants are requested to attach a one-page abstract of their contribution in the Research Abstract subsection under Professional Data.


Information will follow.


The event is held on the ICTP campus, which is located next to Miramare Park and Castle, about 7 km from the centre of Trieste.

Image courtesy, credit and/or copyright (c) ICTP. Source: ICTP Media Centre (> Picture Galleries > ICTP Campus).


See the A+M Data Unit Workshops web page for information about earlier joint ICTP-IAEA events in the area of atomic, molecular and materials data for plasma and fusion applications.

See the ICTP Scientific Calendar for more information about conferences, workshops and other activities organized by ICTP in Trieste and elsewhere.

The present event has been advertised on several meetings lists (thank you!) and these lists may be a good source of information about many other events of related interest.