Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu ---------- Forwarded message ---------- From: PSI-K <psik-coord(a)dl.ac.uk> Date: Thu, Feb 18, 2010 at 10:54 AM Subject: [ PSI-K ] Cecam Tutorial: Computational spectroscopy using Quantum Espresso and related codes To: PSI-K <psik-coord(a)dl.ac.uk> An announcement has been added in the "PSI-K" site at PSI-K ( http://cselnx9.dl.ac.uk:8080/portal) Subject: Cecam Tutorial: Computational spectroscopy using Quantum Espresso and related codes Category: Event From: Paolo Umari Date: 18-Feb-2010 15:54 Message: 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 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 ---------------------- This automatic notification message was sent by PSI-K ( http://cselnx9.dl.ac.uk:8080/portal) from the PSI-K site. You can modify how you receive notifications at My Workspace > Preferences.