Time dependent Density-Functional Theory: Prospects and Applications

International Workshop and School   

2004, August 28 - September 12


SCOPE

The use of TDDFT is increasing, and it is fast becoming one of the tools of choice to get accurate and reliable predictions for excited-state properties in solid state physics, chemistry and biophysics. However, in international meetings, schools and workshops, TDDFT has usually been just one of the topics covered. This means that scientists new to the field face difficulties in grasping its many aspects that could be alleviated if they could attend a school on TDDFT. We also believe that a school on TDDFT would be extremely helpful for young graduate students, post-docs and even older scientists that are envisaging a project for which TDDFT would be the tool of choice. For this reason we decided to organize a 10 day school on TDDFT, covering its theoretical, practical, and numerical aspects.

This school will be followed by an international workshop, where the new developments of TDDFT will be discussed. Students attending the Summer School will be encouraged to attend the workshop, so they can get in contact with state of the art research in the field of TDDFT. The purpose of the workshop is to bring together leading experts in the field of TDDFT with different backgrounds, like density functional, many-body, nuclear physics and quantum chemists. This will allow the exchange of ideas between the different fields and the creation of links between the traditionally separated communities. We believe that the intense and informal discussion which is possible in this kind of workshops can contribute to the formation of a strong community in the field of TDDFT. Some of the recent developments of TDDFT that will be covered during the workshop include TDDFT versus current-DFT, van der Waals interactions, applications to biological systems, new functionals, transport phenomena, optical spectra of solids, etc. It will assemble specialists in these and other areas and will consist of several presentations and round-tables.

Tentative program for the school: The school will be attended by a maximum of around 30 student, and will last 10 days (from August 29th to September 7th), with theoretical sessions (mostly) in the mornings and practical (tutorial) sessions in the afternoons. The theoretical sessions will consist of two 1.5 hour lectures + 20 minutes for discussion. The practical sessions will last for 3 hours and a computer will be allocated for each two students. This will allow the students to have some time every day for studying and talking to the teachers. The program of the school starts with basic ground-state DFT, then continues with the theoretical and numerical aspects of TDDFT, and will end with an outline of some of its many applications.

[list of teachers for the shool] [programme of the school]

Format of the workshop: Starts on September 8th in the morning and ends Saturday 11th late afternoon or early Sunday morning. We plan an informal workshop with sufficient time for discussions. The informal character of the talks will be encouraged and presentations which are partly tutorial, given the mixed character of the audience, are most welcome. The time for each talk will be divided into 75% for the presentation plus 25% for discussion. Speakers will be encouraged to divide their available time into two separate parts if their topic falls under more than one heading. The aim of the workshop will be to stimulate discussions and collaborations among participants. Desks and computer facilities will be provided.

The call for participation will be mainly directed to students and scientists specialized on computational physics, quantum chemistry and biophysics. We will limit the number of participants to 60, in order to ensure a maximum interaction between all the scientists participating. Attendance of graduate students and postdocs will be strongly encouraged through the inclusion of short contributed talks and a poster session. Furthermore, we will award short oral presentations to Ph.D. students who present an outstanding poster.

[ list of invited speakers]


This session has received financial support from the following institutions:
NANOQUANTA NoE ESF Psik
MCyT
CECAM
Donostia International Physics Center (DIPC) Universidad del País Vasco
National Science Foundation
BBVA,Ayuntamiento de Benasque, Universitat de Barcelona and Universidad de Zaragoza.