[Pw_forum] Cecam Tutorial: Computational spectroscopy using Quantum Espresso and related codes

[Davide Ceresoli]

Dear Colleagues,

We would like to draw your attention to the upcoming CECAM Tutorial
"Computational spectroscopy using Quantum Espresso and related codes",
to be held in SISSA, Trieste, Italy, July 26-30, 2010.

With this tutorial, we want to give the basis for the simulation of
spectra in complex molecular and nanostructured systems using approaches
based on density functional theory, including "beyond-DFT" methods such
as time-dependent DFT and many-body perturbation theory, implemented on
a pseudo-potential plane-waves basis framework.

We will focus on a comprehensive set of probes. The preliminary program
of the tutorial is:

Day 1 - July, 26th 2010
Vibrational spectroscopies: neutron, infrared, Raman

Day 2 - July, 27th 2010
Magnetic resonance spectroscopies: NMR and EPR

Day 3 - July, 28th 2010
Core electrons spectroscopies: XPS and XAS

Day 4 - July, 29th 2010
Electron spectroscopies: direct and inverse photo-emission

Day 5 - July, 30th 2010
Optical spectroscopies: light absorption and circular dichroism

As the final goal of theoretical spectroscopy is the comparison with
the corresponding experimental results, we will also provide a brief
introduction from the experimental point of view. As the possibility
of performing such calculations in large model structures has been due
to the introduction of new algorithms, we will also focus on the recent
advances in electronic structure techniques.

For the practical sessions, we will mainly use the packages of the
Quantum-Espresso distribution.

We plan to cover the accommodation expenses of all the participants.
Applications should be submitted online at:

http://www.cecam.org/workshop-483.html

before *May 1st 2010*. Decisions about acceptance will be communicated
shortly thereafter.

Greetings,
     P. Umari, D. Ceresoli and D. Prendergast