To: chemistry-request at ccl.net

Date: Mon Feb 18 14:16:12 2008

Subject: 08.08.31 Workshop on Time-Dependent Density-Functional Theory: Prospects and Applications, Benasque Center for Physics, Spain

THIRD Psi-k/NANOQUANTA SCHOOL + WORKSHOP on Time-Dependent Density-Functional Theory: Prospects and Applications August 31st to September 14th 2008 Benasque Center for Physics, Spain http://benasque.ecm.ub.es/2008tddft/2008tddft.htm Organizers: *) E. K. U. Gross Institut fuer Theoretische Physik Freie Universitaet Berlin Arnimallee 14, D-14195 Berlin, Germany Phone: +49-30-838-54784 Fax: +49-30-838-55258 Mail: hardy]![physik.fu-berlin.de http://www.physik.fu-berlin.de/~ag-gross/ *) Miguel A. L. Marques Laboratoire de Physique de la Mati_re Condens_e et des Nanostructures (LPMCN), Universit_ Lyon I, UMR CNRS 5586, B_timent Brillouin, Domaine scientifique de la DOUA, Villeurbanne F-69622, France. Mail: marques]![tddft.org *) Fernando Nogueira Dep. de F_sica, Faculdade de Ci_ncias e Tecnologia, Universidade de Coimbra and Centro de F_sica Computacional Rua Larga, 3004-516 Coimbra, Portugal Phone: +351-239410114 Fax: +351-239829158 Mail: fnog]![teor.fis.uc.pt http://nautilus.fis.uc.pt/~fnog/ *) Angel Rubio Dpto. Fisica de Materiales, Facultad de Quimicas U. Pais Vasco, Centro Mixto CSIC-UPV/EHU and Donostia International Physics Center (DIPC) Apdo. 1072, 20018 San Sebastian/Donostia, Spain Phone: +34-943018292 Fax: +34-943015600 Mail: arubio]![sc.ehu.es http://dipc.ehu.es/arubio/ History: -------- The "School and Workshop on Time-Dependent Density Functional Theory" was first hosted by the Benasque Center for Science, Spain from August 28th to September 12th, 2004. The aim of the school was to introduce theoretical, practical, and numerical aspects of time-dependent density-functional theory (TDDFT) to young graduate students, post-docs and even older scientists that were envisaging a project for which TDDFT would be the tool of choice. The outstanding success of this school led to the organization of a second event, held once more in Benasque, from August 27th to September 11th, 2006. This school is also part of a more general training effort conducted at the European level through the Psi-k Marie Curie Series of Events (Psi-k Training in Computational Nanoscience) and the NANOQUANTA network of Excellence. The school will be followed by an international workshop, where the new developments of TDDFT and Many-Body Techniques for the calculation of excitations will be discussed. Students attending the school will be encouraged to attend the workshop, so they can get in contact with state of the art research in the field. The purpose of the workshop is to bring together leading experts in all these fields with different backgrounds, like density functional, many-body, nuclear physics, quantum chemists, and biophysicists. 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. Tentative program for the school: -------------------------------- The school will be attended by a maximum of around 40 students, and will last 9 days, with theoretical sessions (mostly) in the mornings and practical (tutorial) sessions in the afternoons. The theoretical sessions will consist of four lectures lasting for 45m each (including discussions). The practical sessions will last for 3 hours and a computer will be allocated for every 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 TDDFT, then continues with more complex theoretical and numerical aspects of TDDFT, and will end with an outline of some of its many applications. Basic knowledge on ground state DFT calculations is required. Also during the school we will address other approaches to describe excite state properties based on either many-body perturbation theory or quantum-chemistry schemes. The preliminary program is: 31/8 a: Registration 1/9 m: TDDFT (2 x 45m, T) Overview of spectroscopies (45m, T) Many-Body - GW (45m, T) a: Introduction to the practical classes Introduction to the codes 2/9 m: Overview of spectroscopies (45m, T) TDDFT (45m, T) Many-Body - GW (45m, T) Many-Body - BSE (45m, T) a: Quantum Dots I (3h, P) 3/9 m: TDDFT (45m, T) Overview of spectroscopies (45m, T) Propagation schemes (45m, T) Many-Body - BSE (45m, T) a: Quantum Dots II (3h, P) 4/9 m: Advanced TDDFT (45m, T) Models for time-dependent phenomena (45m, T) Overview of spectroscopies (45m, T) TDDFT as a tool in chemistry (45m, T) a: Quantum Dots III (3h, T) 5/9 : Free day 6/9 m: TDDFT as a tool in chemistry (45m, T) Models for time-dependent phenomena (45m, T) Advanced TDDFT (45m, T) Current DFT (45m, T) a: OCTOPUS I (3h, P) 7/9 m: TDDFT as a tool in chemistry (45m, T) Optimal control theory (45m, T) Current DFT (45m, T) Models for time-dependent phenomena (45m, T) a: OCTOPUS II (3h, P) 8/9 m: TDDFT vs. Many-Body (45m, T) TDDFT as a tool in chemistry (45m, T) TDDFT as a tool in biophysics (45m, T) Advanced TDDFT (45m, T) a: ABINIT+SELF I (3h, P) 9/9 m: TDDFT vs. Many-Body (45m, T) Models for time-dependent phenomena (45m, T) TDDFT as a tool in biophysics (45m, T) Current DFT (45m, T) a: ABINIT+SELF II (3h, P) Final Remarks 10/9 : Free day During the school we will incentive a close and informal contact between the students and the teachers. Furthermore, the students will be stimulated to talk about their current research activities and future interests. We feel that this is an important point, since young scientists should be involved in the building up of a strong community. The preliminary program of the workshop is: ------------------------------------------- The 4 day workshop will start September 10, 2008 in the afternoon and will end September 14 in the morning. It will include both invited talks on key aspects of TDDFT (45m each), contributed talks (30m) and a poster session. The tentative 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% discussion of discussion. Speakers will be encouraged to divide their available time into two separate parts if their topic falls under more than one heading. We will select some posters from the young researchers participating in the workshop to be presented as oral communications. The update list of invited speakers and teachers can be found at http://benasque.ecm.ub.es/2008tddft/2008tddft.htm Location/Timing --------------- We plan to organize this event at the ``Benasque Center for Science'', Benasque, Spain, from August 31, 2008 to September 14, 2008. Benasque is a beautiful town in the heart of the Pyrenees. The school will take place from August 31 (Day 0 - arrival of students for the school) to September 10, and the workshop will start September 10 (arrival of participants to the workshop) and finish on September 14 (departure of all participants). See http://benasque.ecm.ub.es/. Participants ------------ 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 students to the school to 40 and participants to the workshop to less than 100, 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 to PhD students who present an outstanding poster short oral presentations.

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