[Pw_forum] Tutorial: Simulating matter at the nano-scale

[Paolo Giannozzi]

               CECAM-Psi-k-MolSimu tutorial:

"Simulating matter at the nano-scale using density-functional theory,
             pseudopotentials and plane waves"
                Lyon, November 13-17, 2006
!!! please note change of date^^^^^

This tutorial is aimed at students and young researchers who need 
an introduction to the field of electronic structure computations. 
It is also directed to non-specialists (e.g. experimentalists) who 
need to use the results of computer simulations for their work.

The tutorial will consist in morning lectures, followed by afternoon
practical hand-on sessions. In the lectures, emphasis will be put on 
the fundamental concepts, illustrated by a variety of examples showing 
the merits, but also the limitations, of the various DFT implementations. 
In addition to standard ground state properties (equilibrium structure,
cohesive energy, etc.) and Kohn-Sham orbitals analysis, an introduction
to modern linear response theories (dielectric response, vibrational 
properties) will be provided. Finally, the concepts and tools of molecular
dynamics (Verlet algorithm, thermostats, etc.) will be presented.  
In the hands-on sessions, examples of practical applications will be
shown, using the Quantum-ESPRESSO distribution as computational tool.

The number of participants is limited to 30. 
Some background in condensed-matter physics or theoretical chemistry, 
and a basic knowledge of Unix (Linux), are required. 
Cecam and MolSimu will provide funding covering travel and living 
expenses for eligible participants. 
Interested people should apply via the web site http://www.cecam.fr
(you should require a user and a password if you do not have any;
please check that your application is "submitted", not just "open").
Notifications of acceptance will be sent starting in September 
(please note change wrt previous announcements). It will
still be possible to apply until all slots are filled.

Organizers:
Paolo Giannozzi, SNS Pisa and Democritos Trieste
Xavier Blase, Université Lyon 1 and CNRS
Ralph Gebauer, ICTP and Democritos Trieste

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy