Yambo: present, past and future Claudio Attaccalite

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Presentation transcript:

Yambo: present, past and future Claudio Attaccalite

Nano-structures: Tailoring the optical properties of Si Nws with Si/Ge mixing M.Palummo et al. Phys. Rev. B 82, 073305 (2010)

02 Surface Physics: a gold chain on Silicon Nous somes six permanents plus un doctorant et un postdoc un doctorant Optical characterization of gold chains and steps on the vicinal Si(557) surface: Theory and experiment C. Hogan, N. McAlinden, J. F. McGilp Physica Status Solidi (2012)

Photovoltaics: Excitons at the Anatase Photocatalysis, Photovoltaics TiO2(001) surfaces Interest: Photocatalysis, Photovoltaics 02 G. Giorgi et al. Phys. Rev. B 84 074301(2011) Nous somes six permanents plus un doctorant et un postdoc un doctorant

Molecular systems: excitation in porphirines M. Palummo et al J. Chem Phys. 131, 084102(2009)

Anomalous Aharonov-Bohm due to the Lorentz correction Magnetic systems: Ab-initio Aharonov-Bohm effect Anomalous Aharonov-Bohm due to the Lorentz correction Nano Lett., 2011, 11 (10), pp 4052–4057

Real-time spectroscopy: out-of-equilibrium electronic systems 100 fs – 1 ps

Defects in bulks and nanostructures Large systems: Defects in bulks and nanostructures Biological molecules Molecules on surfaces

Magnetic systems: Kerr effect Kerr parameters in Iron and Cobalt D. Sangalli et al. ArXiv 1205.1944

Non-linear optics Non-linear optics can calculated in the same way of TD-DFT as it is done in OCTOPUS or RT-TDDFT/SIESTA codes. Quasi-monocromatich-field p-nitroaniline Y.Takimoto, Phd thesis (2008)

Luminescence Structure-Assigned Optical Spectra of Single-Walled Carbon Nanotubes Sergei M. Bachilo et al. Science 298. 2361(2002)

Expected computation advances Better Parallelization Improved memory distribution in GW and BSE Efficient integrators for ODE Fast and scalable matrix diagolalization and inversion also for non-Hermitiam matrices Improved basis-set? Interface to other codes: CPMD, GPAW etc..

Merci de votre attention Bonjour, je m'appels Claudio Attaccalite, et je suis le nouvou entrée dans equide de Theorie et Simulation Numérique des Propriétés Electroniques, et aujourd'hui je vous present briévement[brievmon] que il fait mon equipe et apres mon projet de recherche. Claudio Attaccalite