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Yambo:Yambo:
present, past and futurepresent, past and future
Claudio AttaccaliteClaudio Attaccalite
Nano-structures:
Tailoring the optical properties of Si Nws with Si/Ge mixing

M.Palummo et al. Phys. Rev. B 82, 073305 (2...
02
Surface Physics: a gold chain on Silicon
Optical characterization of gold chains and steps on the vicinal Si(557) 
surf...
02
Photovoltaics: Excitons  at the Anatase
      TiO2
(001) surfaces
Interest:
Photocatalysis, Photovoltaics
G. Giorgi et ...
Molecular systems:
excitation in porphirines
M. Palummo et al J. Chem Phys.M. Palummo et al J. Chem Phys. 131131, 084102(2...
Magnetic systems:
Ab-initio Aharonov-Bohm effect
Anomalous Aharonov-Anomalous Aharonov-
Bohm due to theBohm due to the
Lor...
Real-time spectroscopy:Real-time spectroscopy:
out-of-equilibrium electronic systemsout-of-equilibrium electronic systems
...
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 ...
Luminescence
Structure-Assigned Optical Spectra of Single-Walled Carbon
Nanotubes Sergei M. Bachilo et al. Science 298. 23...
Expected computation advances
• Better Parallelization
• Improved memory distribution in GW and BSE
• Efficient integrator...
Merci de votre attention
Claudio Attaccalite
 Yambo: present, past and future
 Yambo: present, past and future
 Yambo: present, past and future
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Yambo: present, past and future

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Yambo: present, past and future

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Yambo: present, past and future

  1. 1. Yambo:Yambo: present, past and futurepresent, past and future Claudio AttaccaliteClaudio Attaccalite
  2. 2. Nano-structures: Tailoring the optical properties of Si Nws with Si/Ge mixing M.Palummo et al. Phys. Rev. B 82, 073305 (2010)
  3. 3. 02 Surface Physics: a gold chain on Silicon 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)
  4. 4. 02 Photovoltaics: Excitons  at the Anatase       TiO2 (001) surfaces Interest: Photocatalysis, Photovoltaics G. Giorgi et al.  Phys. Rev. B 84 074301(2011) 
  5. 5. Molecular systems: excitation in porphirines M. Palummo et al J. Chem Phys.M. Palummo et al J. Chem Phys. 131131, 084102(2009), 084102(2009)
  6. 6. Magnetic systems: Ab-initio Aharonov-Bohm effect Anomalous Aharonov-Anomalous Aharonov- Bohm due to theBohm due to the Lorentz correctionLorentz correction Nano Lett., 2011, 11Nano Lett., 2011, 11 (10), pp 4052–4057(10), pp 4052–4057
  7. 7. Real-time spectroscopy:Real-time spectroscopy: out-of-equilibrium electronic systemsout-of-equilibrium electronic systems 100 fs – 1 ps
  8. 8. Large systems: Defects in bulks and nanostructures Biological molecules Molecules on surfaces
  9. 9. Magnetic systems: Kerr effect Kerr parameters in Iron and Cobalt D. Sangalli et al. ArXiv 1205.1944
  10. 10. 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)
  11. 11. Luminescence Structure-Assigned Optical Spectra of Single-Walled Carbon Nanotubes Sergei M. Bachilo et al. Science 298. 2361(2002)
  12. 12. 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..
  13. 13. Merci de votre attention Claudio Attaccalite

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