From: chemistry-request at ccl.net
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.
NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to ]![ to fight spam. Before you send e-mail, you
need to change ]![ to @
For example: change joe]![big123comp.com to joe@big123comp.com
Please let colleagues know about conference listingts at
Computational Chemistry List Conference Page at
http://www.ccl.net/chemistry/a/conferences/.